SCHEMBL4940503

SCHEMBL4940503

Cc1ccccc1-c1ccc(C(=O)O)o1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
HPGD P15428 4/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
KDM4E B2RXH2 2/20 0.66
HSD17B10 Q99714 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
NPSR1 Q6W5P4 1/20 0.65
SLC9A1 P19634 1/20 0.63
MAPT P10636 1/20 0.59

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
SCHEMBL4946365 0.83 ALDH1A1 (0.61) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL1318757 0.81 ALDH1A1 (0.52) ALDH1A1HPGDMEN1KMT2AKDM4E
O-Xylene SCHEMBL28910917 0.81 ALDH1A1 (0.52) ALDH1A1HPGDMEN1KMT2AKDM4E
O-Xylene SCHEMBL28910919 0.81 ALDH1A1 (0.52) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL5842967 0.79 ALDH1A1 (1.00) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL4987351 0.79 ALDH1A1 (1.00) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL7064007 0.79 SLC9A1 (0.65) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL29352723 0.79 ALDH1A1 (1.00) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL5842477 0.79 ALDH1A1 (0.65) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL29071618 0.77 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376430-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-06-28 US disclosed
US-9333193-B2 Compositions and methods for treating tuberculosis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-05-10 US disclosed
US-8835644-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-09-16 US disclosed
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-01-12 US disclosed
US-7351843-B2 Furancarbonylguanidine derivatives, their preparation and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-04-01 US disclosed
US-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-12-27 US disclosed
EP-1697335-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-09-06 EP disclosed
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US disclosed
EP-1569954-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP disclosed
WO-2005063727-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-07-14 WO disclosed
EP-1503997-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-02-09 EP disclosed
WO-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 WO disclosed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 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 (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-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them SLC9A1, NHERF1, SLC5A1 ALDH1A1 297/4885HPGD 242/4885MEN1 2726/4885
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK ALDH1A1 3662/4885HPGD 1408/4885MEN1 3944/4885
US-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB ALDH1A1 2872/4885HPGD 1670/4885MEN1 4208/4885
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 ALDH1A1 4060/4885HPGD 2875/4885MEN1 2908/4885

“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.