SCHEMBL5387474

SCHEMBL5387474

CCn1ccc2cc(C(=O)O)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.59
TUBB P07437 2/20 0.59
TUBA3C P0DPH7 2/20 0.59
TUBA1B P68363 2/20 0.59
TUBA4A P68366 2/20 0.59
TUBB4B P68371 2/20 0.59
TUBB3 Q13509 2/20 0.59
TUBB2A Q13885 2/20 0.59
TUBB8 Q3ZCM7 2/20 0.59
TUBA3E Q6PEY2 2/20 0.59
TUBA1A Q71U36 2/20 0.59
TUBA1C Q9BQE3 2/20 0.59
TUBB6 Q9BUF5 2/20 0.59
TUBB2B Q9BVA1 2/20 0.59
TUBB1 Q9H4B7 2/20 0.59
PLA2G4A P47712 2/20 0.54
RORC P51449 1/20 0.53
RAPGEF4 Q8WZA2 1/20 0.48
HCAR3 P49019 1/20 0.48
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL4934703 0.87 PLA2G4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5387046 0.87 MCL1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16492908 0.87 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30622502 0.87 MCL1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18295992 0.85 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5068315 0.85 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1749895 0.84 PLA2G4A (0.59) PLA2G4AHCAR3PLGPLAU
SCHEMBL15921713 0.84 PLA2G4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2983210 0.83 PLA2G4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28607801 0.83 KMT2A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 US disclosed
CN-112759541-B Indole-like derivatives and uses thereof 复旦大学 2023-03-17 CN disclosed
CN-112759541-A Indole-like derivatives and uses thereof 复旦大学 2021-05-07 CN disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 EP disclosed
CN-107709315-A The inhibitor of bruton's tyrosine kinase 药品循环有限责任公司 2018-02-16 CN disclosed
CN-104812749-B Indolecarboxamide derivant as P2X7 receptor antagonist 埃科特莱茵药品有限公司 2016-12-14 CN disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO disclosed
CN-104812749-A Iindole carboxamide derivatives as p2x7 receptor antagonists ACTELION PHARMACEUTICALS LTD 2015-07-29 CN disclosed
WO-2012170554-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG KAMENECKA THEODORE MARK (US) 2012-12-13 WO disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
CN-1835944-A Quinolyl amide derivatives as CCR-5 antagonists SCHERING AG (DE) 2006-09-20 CN disclosed
EP-1633737-A1 QUINOLYL AMIDE DERIVATIVES AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-03-15 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
US-20050020605-A1 Quinolyl amide derivatives as CCR-5 antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
WO-2004113323-A1 QUINOLYL AMIDE DERIVATIVES AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-12-29 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-20050020605-A1 Quinolyl amide derivatives as CCR-5 antagonists CCRL2, CCR5, CCR1 TUBB4A 1883/4885TUBB 1916/4885TUBA3C 1635/4885
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK TUBB4A 2043/4885TUBB 1303/4885TUBA3C 2095/4885
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 TUBB4A 530/4885TUBB 427/4885TUBA3C 431/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 TUBB4A 1266/4885TUBB 1148/4885TUBA3C 1231/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK TUBB4A 2043/4885TUBB 1303/4885TUBA3C 2095/4885

“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.