Paclitaxel

Paclitaxel

SCHEMBL125950

CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8

The experimentally established mechanism targets of Paclitaxel. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A known ✓ P04350 3/20 1.00
TUBB known ✓ P07437 3/20 1.00
TUBA3C known ✓ P0DPH7 3/20 1.00
TUBA1B known ✓ P68363 3/20 1.00
TUBA4A known ✓ P68366 3/20 1.00
TUBB4B known ✓ P68371 3/20 1.00
TUBB3 known ✓ Q13509 3/20 1.00
TUBB2A known ✓ Q13885 3/20 1.00
TUBB8 known ✓ Q3ZCM7 3/20 1.00
TUBA3E known ✓ Q6PEY2 3/20 1.00
TUBA1A known ✓ Q71U36 3/20 1.00
TUBA1C known ✓ Q9BQE3 3/20 1.00
TUBB6 known ✓ Q9BUF5 3/20 1.00
TUBB2B known ✓ Q9BVA1 3/20 1.00
TUBB1 known ✓ Q9H4B7 3/20 1.00
NPC1 O15118 8/20 1.00
RAB9A P51151 7/20 1.00
USP2 O75604 2/20 1.00
HIF1A Q16665 2/20 1.00
MEN1 O00255 2/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Paclitaxel SCHEMBL13622863 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL15590870 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL759366 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL12929005 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL23760447 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL18389589 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL23760443 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL10122072 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL13241436 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL22149786 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321177-A1 POLYPHARMACEUTICAL DRUG COMPOSITIONS AND RELATED METHODS AVETA BIOMICS, INC. 2023-10-12 US disclosed
US-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 US disclosed
US-9913822-B2 Combination therapy with an anti-hyaluronan agent and therapeutic agent HALOZYME, INC. (US) 2018-03-13 US disclosed
US-9827315-B2 Compositions of pharmaceutical actives containing diethylene glycol monoethyl ether or other alkyl derivatives THEMIS MEDICARE LIMITED (IN) 2017-11-28 US disclosed
US-9827315-B2 Compositions of pharmaceutical actives containing diethylene glycol monoethyl ether or other alkyl derivatives THEMIS MEDICARE LIMITED (IN) 2017-11-28 US disclosed
US-20170290796-A1 COMBINATION THERAPY WITH AN ANTI-HYALURONAN AGENT AND THERAPEUTIC AGENT HALOZYME, INC. 2017-10-12 US disclosed
US-20170042818-A1 LUNG TARGETING DUAL DRUG DELIVERY SYSTEM THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-02-16 US disclosed
US-9556156-B2 Compounds, their synthesis and their uses Sphaera Pharma Pte Ltd. (SG) 2017-01-31 US disclosed
US-9364588-B2 Drug delivery scaffold or stent with a novolimus and lactide based coating such that novolimus has a minimum amount of bonding to the coating ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2016-06-14 US disclosed
US-20080214847-A1 By column chromatography on silica gel using a solvent mixture containing methyl isobutyl ketone and a less polar solvent as the mobile phase; large scale purification IVAX PHARMACEUTICALS S.R.O. (CZ) 2008-09-04 US disclosed
US-20080214847-A1 By column chromatography on silica gel using a solvent mixture containing methyl isobutyl ketone and a less polar solvent as the mobile phase; large scale purification IVAX PHARMACEUTICALS S.R.O. (CZ) 2008-09-04 US disclosed
US-20080206808-A1 GALACTOSYL NUCLEOTIDE SUGAR NEOSE TECHNOLOGIES, INC. 2008-08-28 US disclosed
US-7265084-B2 Glycopegylation methods and proteins/peptides produced by the methods NEOSE TECHNOLOGIES, INC. (US) 2007-09-04 US disclosed
US-7226903-B2 Interferon beta: remodeling and glycoconjugation of interferon beta NEOSE TECHNOLOGIES, INC. (US) 2007-06-05 US disclosed
US-7226903-B2 Interferon beta: remodeling and glycoconjugation of interferon beta NEOSE TECHNOLOGIES, INC. (US) 2007-06-05 US disclosed
US-20070092922-A1 Taxol immunoassay SALADAX BIOMEDICAL INC. 2007-04-26 US disclosed
US-20070042458-A1 ERYTHROPOIETIN: REMODELING AND GLYCOCONJUGATION OF ERYTHROPOIETIN NEOSE TECHNOLOGIES, INC. 2007-02-22 US disclosed
US-7175993-B2 Taxol immunoassay SALADAX BIOMEDICAL, INC. (US) 2007-02-13 US disclosed
US-20070032646-A1 Novel taxanes and methods related to use and preparation thereof INNOVATIONAL HOLDINGS LLC 2007-02-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080206808-A1 GALACTOSYL NUCLEOTIDE SUGAR GALNT1, UGCG, GALNT3 TUBB4A 3540/4885TUBB 2807/4885TUBA3C 3794/4885
US-20070032646-A1 Novel taxanes and methods related to use and preparation thereof TUBB8B, TUBA1B, TUBB TUBB4A 17/4885TUBB 3/4885TUBA3C 20/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 TUBB4A 237/4885TUBB 461/4885TUBA3C 625/4885
US-20070042458-A1 ERYTHROPOIETIN: REMODELING AND GLYCOCONJUGATION OF ERYTHROPOIETIN EPOR, HBG2, HAMP TUBB4A 3034/4885TUBB 2595/4885TUBA3C 3639/4885
US-20170290796-A1 COMBINATION THERAPY WITH AN ANTI-HYALURONAN AGENT AND THERAPEUTIC AGENT CD44, ENGASE, HPSE TUBB4A 408/4885TUBB 381/4885TUBA3C 785/4885
US-20080214847-A1 By column chromatography on silica gel using a solvent mixture containing methyl isobutyl ketone and a less polar solvent as the mobile phase; large scale purification AURKB, KIFC1, CCNB3 TUBB4A 39/4885TUBB 24/4885TUBA3C 49/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 TUBB4A 237/4885TUBB 461/4885TUBA3C 625/4885
US-20070092922-A1 Taxol immunoassay TUBB6, TUBA1C, TUBB1 TUBB4A 10/4885TUBB 7/4885TUBA3C 18/4885
US-20230321177-A1 POLYPHARMACEUTICAL DRUG COMPOSITIONS AND RELATED METHODS PCBP1, CYP3A5, ABCB1 TUBB4A 3413/4885TUBB 2943/4885TUBA3C 3323/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.