Paclitaxel

Paclitaxel

SCHEMBL12929005

CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)C(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 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
Paclitaxel SCHEMBL125950 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9956385-B2 Post-processing of a medical device to control morphology and mechanical properties THE SPECTRANETICS CORPORATION 2018-05-01 US disclosed
US-20170312278-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY COMPRISING ADMINISTERING SUBSTITUTED PYRAZINO[2,3-b]PYRAZINES SIGNAL PHARM LLC (US) 2017-11-02 US disclosed
US-8653238-B2 Compositions and methods for transport of molecules with enhanced release properties across biological barriers THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-02-18 US disclosed
US-8653238-B2 Compositions and methods for transport of molecules with enhanced release properties across biological barriers THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-02-18 US disclosed
US-7871775-B2 Compositions and methods for the identification, assessment, prevention and therapy of human cancers MILLENNIUM PHARMACEUTICALS, INC (US) 2011-01-18 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20100015684-A1 FACTOR VII: REMODELING AND GLYCOCONJUGATION OF FACTOR VII NEOSE TECHNOLOGIES, INC. 2010-01-21 US disclosed
US-20090136961-A1 Novel compositions and methods for identification, assessment, prevention, and therapy of ovarian cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-05-28 US disclosed
US-7470509-B2 Compositions and methods for the identification, assessment, prevention and therapy of ovarian cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
US-20080286780-A1 Novel compositions and methods for the identification, assessment, prevention and therapy of human cancers MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-11-20 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-20080070275-A1 Factor VIII: Remodeling and glycoconjugation of factor VIII NEOSE TECHNOLOGIES, INC. (US) 2008-03-20 US disclosed
US-20070190550-A1 Novel compositions and methods for the identification, assessment, prevention, and therapy of human cancers MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
US-7195868-B2 Compositions and methods for the identification, assessment, prevention, and therapy of human cancers MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-03-27 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 (4 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-20100015684-A1 FACTOR VII: REMODELING AND GLYCOCONJUGATION OF FACTOR VII F13B, F7, HABP2 TUBB4A 4204/4885TUBB 4243/4885TUBA3C 4400/4885
US-20070190550-A1 Novel compositions and methods for the identification, assessment, prevention, and therapy of human cancers TSG101, TP53, MKI67 TUBB4A 116/4885TUBB 128/4885TUBA3C 412/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN TUBB4A 1035/4885TUBB 1424/4885TUBA3C 2164/4885
US-20170312278-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY COMPRISING ADMINISTERING SUBSTITUTED PYRAZINO[2,3-b]PYRAZINES MTOR, ULK2, TTK TUBB4A 1226/4885TUBB 1068/4885TUBA3C 1959/4885

“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.