SCHEMBL3674500

SCHEMBL3674500

CCc1cccc(CCC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.61
PTPRB P23467 1/20 0.57
CDC25A P30304 1/20 0.57
CDC25B P30305 1/20 0.57
PTEN P60484 1/20 0.57
PTPMT1 Q8WUK0 1/20 0.57
FFAR1 O14842 4/20 0.57
PLA2G10 O15496 1/20 0.53
PLA2G2A P14555 1/20 0.53
FFAR4 Q5NUL3 2/20 0.49
BCL2 P10415 1/20 0.49
PPARG P37231 1/20 0.48
TBXA2R P21731 1/20 0.48
PTGFR P43088 1/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL70271 0.90 KEAP1 (0.74) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL10290715 0.89 SMN1; SMN2 (0.63) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL1206832 0.89 KEAP1 (0.61) KEAP1PTPRBCDC25ACDC25BPTEN
Hydrochloric Acid SCHEMBL10982620 0.88 KEAP1 (0.71) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL7512732 0.87 MAPT (0.62) PPARGPTGFRHDAC3MAPK1ADRA1A
SCHEMBL25170050 0.86 MAPT (0.66) PPARGPTGFRHDAC3MAPK1ADRA1A
SCHEMBL7511756 0.86 MMP12 (0.54) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL12329336 0.86 MAPT (0.66) PPARGPTGFRHDAC3MAPK1ADRA1A
SCHEMBL289363 0.85 KEAP1 (0.57) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL10750775 0.85 ALDH1A1 (0.62) KEAP1PTPRBCDC25ACDC25BPTEN

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-5238832-A Lipoxygenase inhibitors BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1993-08-24 US claimed
WO-2023168367-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS IMMUNESENSOR THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
US-20170158521-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2017-06-08 US disclosed
WO-2017017607-A1 BETUIN DERIVATIVES FOR PREVENTING OR TREATING HIV INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-02-02 WO disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
EP-2050446-B1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-05-07 EP disclosed
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US disclosed
US-7858616-B2 Indolinone derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-28 US disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-06 US disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20070191371-A1 HETEROCYCLIC MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-08-16 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 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 (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-20070191371-A1 HETEROCYCLIC MODULATORS OF PPAR PPARG, PPARD, PPARA KEAP1 1877/4885PTPRB 1465/4885CDC25A 2055/4885
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 KEAP1 2602/4885PTPRB 599/4885CDC25A 1648/4885
US-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 KEAP1 311/4885PTPRB 2004/4885CDC25A 3050/4885
US-20170158521-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE CD14, ERG28, DAP3 KEAP1 4577/4885PTPRB 4067/4885CDC25A 245/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 KEAP1 2468/4885PTPRB 469/4885CDC25A 192/4885

“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.