Paclitaxel

Paclitaxel

SCHEMBL9240

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@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O.COC(=O)O

nearest known ligand 0.97

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 0.97
TUBB known ✓ P07437 3/20 0.97
TUBA3C known ✓ P0DPH7 3/20 0.97
TUBA1B known ✓ P68363 3/20 0.97
TUBA4A known ✓ P68366 3/20 0.97
TUBB4B known ✓ P68371 3/20 0.97
TUBB3 known ✓ Q13509 3/20 0.97
TUBB2A known ✓ Q13885 3/20 0.97
TUBB8 known ✓ Q3ZCM7 3/20 0.97
TUBA3E known ✓ Q6PEY2 3/20 0.97
TUBA1A known ✓ Q71U36 3/20 0.97
TUBA1C known ✓ Q9BQE3 3/20 0.97
TUBB6 known ✓ Q9BUF5 3/20 0.97
TUBB2B known ✓ Q9BVA1 3/20 0.97
TUBB1 known ✓ Q9H4B7 3/20 0.97
NPC1 O15118 8/20 0.97
RAB9A P51151 7/20 0.97
USP2 O75604 2/20 0.97
HIF1A Q16665 2/20 0.97
MEN1 O00255 2/20 0.97

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 SCHEMBL5151579 0.98 NPC1 (0.98) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL18389589 0.98 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL10122072 0.98 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL19996646 0.98 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL23760447 0.98 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL23760443 0.98 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL13622863 0.98 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL759366 0.98 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL22149786 0.98 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL12929005 0.98 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 422 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3129014-B1 NOVEL ORGANOSELENIUM COMPOUNDS, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL USES THEREOF AS ANTITUMOUR AGENTS TETRAHEDRON (FR) 2021-05-12 EP claimed
US-10308602-B2 Organoselenium compounds, method for producing same, and pharmaceutical uses thereof in particular as antitumor agents TETRAHEDRON (FR) 2019-06-04 US claimed
US-20170114011-A1 NOVEL ORGANOSELENIUM COMPOUNDS, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL USES THEREOF IN PARTICULAR AS ANTITUMOR AGENTS TETRAHEDRON (FR) 2017-04-27 US claimed
EP-3129014-A2 NOVEL ORGANOSELENIUM COMPOUNDS, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL USES THEREOF AS ANTITUMOUR AGENTS Tetrahedron (FR) 2017-02-15 EP claimed
US-9345677-B2 Compositions, methods and kits relating to HER-2 cleavage INCYTE CORPORATION (US) 2016-05-24 US claimed
US-20120263676-A1 COMPOSITIONS, METHODS AND KITS RELATING TO HER-2 CLEAVAGE INCYTE CORPORATION, A DELAWARE CORPORATION 2012-10-18 US claimed
EP-1613269-A2 COMPOSITIONS, METHODS AND KITS RELATING TO HER-2 CLEAVAGE Incyte Corporation (US) 2006-01-11 EP claimed
US-20040247602-A1 Compositions, methods and kits relating to Her-2 cleavage INCYTE CORPORATION 2004-12-09 US claimed
WO-2004089294-A2 COMPOSITIONS, METHODS AND KITS RELATING TO HER-2 CLEAVAGE INCYTE CORPORATION (US) 2004-10-21 WO claimed
US-6537988-B2 Imidazole-1h-1,4-benzodiazepine derivatives along with antiproliferative cytotoxic and cytostatic agents BRISTOL-MYERS SQUIBB COMPANY 2003-03-25 US claimed
EP-1272193-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER Bristol-Myers Squibb Company (US) 2003-01-08 EP claimed
US-6458835-B2 USING 4-(((CYANOIMINO)-((1,2,2-TRIMETHYLPROPYL)AMINO) METHYL)AMINO)BENZONITRILE BRISTOL-MYERS SQUIBB COMPANY 2002-10-01 US claimed
US-20020002162-A1 Synergistic methods and compositions for treating cancer BRISTOL-MYERS SQUIBB COMPANY 2002-01-03 US claimed
WO-2001072721-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2001-10-04 WO claimed
US-20010020038-A1 Method for inhibiting or treating chemotherapy-induced hair loss BRISTOL-MYERS SQUIBB COMPANY 2001-09-06 US claimed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
CN-114805352-B Pyrrolopyridine substituted fused quinoline compounds as PI3K/MTOR inhibitors 南京爱德程医药科技有限公司 2023-09-15 CN disclosed
EP-0626953-A4 NOVEL SIDECHAIN-BEARING TAXANES AND INTERMEDIATES THEREOF. BRISTOL MYERS SQUIBB CO (US) 1995-05-03 EP disclosed
EP-0626953-A1 NOVEL SIDECHAIN-BEARING TAXANES AND INTERMEDIATES THEREOF Bristol-Myers Squibb Company (US) 1994-12-07 EP disclosed
WO-1994014787-A1 NOVEL SIDECHAIN-BEARING TAXANES AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-07 WO 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 (5 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-20010020038-A1 Method for inhibiting or treating chemotherapy-induced hair loss MGMT, TUBB2B, CCAR2 TUBB4A 39/4885TUBB 9/4885TUBA3C 610/4885
US-20170114011-A1 NOVEL ORGANOSELENIUM COMPOUNDS, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL USES THEREOF IN PARTICULAR AS ANTITUMOR AGENTS SCLY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC7A5 TUBB4A 1301/4885TUBB 1983/4885TUBA3C 1068/4885
US-10308602-B2 Organoselenium compounds, method for producing same, and pharmaceutical uses thereof in particular as antitumor agents SCLY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PRMT5 TUBB4A 1516/4885TUBB 2083/4885TUBA3C 1322/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A TUBB4A 2071/4885TUBB 1486/4885TUBA3C 2452/4885
US-20020002162-A1 Synergistic methods and compositions for treating cancer ABCB11, TP53, SLC10A1 TUBB4A 521/4885TUBB 692/4885TUBA3C 759/4885

“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.