SCHEMBL4711536

SCHEMBL4711536

Nc1ccc(-c2ccc(C(=O)O)s2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.70
POLB P06746 2/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 3/20 0.69
GAA P10253 2/20 0.69
APP P05067 2/20 0.59
HPGDS O60760 1/20 0.57
HSD17B1 P14061 2/20 0.56
HSD17B2 P37059 2/20 0.56
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
NPC1 O15118 2/20 0.53
GLA P06280 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NR4A2 P43354 1/20 0.53
IKBKB O14920 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL2083801 0.82 MEN1 (0.72) RAB9APOLBMEN1KMT2AKDM4E
SCHEMBL29906336 0.82 RAB9A (0.79) RAB9APOLBMEN1KMT2AKDM4E
SCHEMBL2491267 0.82 RAB9A (1.00) RAB9APOLBMEN1KMT2AKDM4E
SCHEMBL10963422 0.82 RAB9A (0.72) RAB9APOLBMEN1KMT2AKDM4E
SCHEMBL422509 0.82 RAB9A (0.72) RAB9APOLBMEN1KMT2AKDM4E
SCHEMBL7259715 0.82 APP (0.53) RAB9APOLBMEN1KMT2AKDM4E
SCHEMBL6262954 0.82 HPGDS (0.69) RAB9APOLBMEN1KMT2AKDM4E
SCHEMBL1761545 0.82 RAB9A (0.92) RAB9APOLBMEN1KMT2AKDM4E
SCHEMBL6259708 0.81 KDM4E (1.00) RAB9APOLBMEN1KMT2AKDM4E
SCHEMBL27274252 0.81 RAB9A (0.66) RAB9APOLBMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727808-B3 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2013-01-09 EP disclosed
EP-1727808-B1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2008-11-12 EP disclosed
EP-1727808-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS Spirogen Limited (GB) 2006-12-06 EP disclosed
US-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 US disclosed
WO-2005085177-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2005-09-15 WO disclosed
WO-2005079791-A1 THIOPHENE -2- CARBOXYLIC ACID - (1H - BENZIMIDAZOL - 2 YL) - AMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE TEC KINASE ITK (INTERLEUKIN -2- INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-01 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 (1 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-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK RAB9A 2463/4885POLB 3466/4885MEN1 3793/4885

“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.