SCHEMBL4597631

SCHEMBL4597631

Cc1ccc(CC(=O)O)c(S)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.59
MAPT P10636 3/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTGS2 P35354 5/20 0.44
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PTGS1 P23219 2/20 0.40
ABCB11 O95342 1/20 0.40
PPARG P37231 1/20 0.40
NR1I3 Q14994 1/20 0.40
MPL P40238 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL12258207 0.82 SRC (0.65) SRCMAPTALOX15SMN1; SMN2PTGS2
SCHEMBL27515511 0.81 SRC (0.40) SRCMAPTALOX15SMN1; SMN2MEN1
SCHEMBL6583519 0.80 SRC (0.39) SRCMAPTALOX15SMN1; SMN2KDM4E
SCHEMBL6477480 0.80 HSP90AB1 (0.41) SRCMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL15780476 0.80 SRC (0.62) SRCMAPTALOX15SMN1; SMN2PTGS2
SCHEMBL3228305 0.80 SRC (0.62) SRCMAPTALOX15SMN1; SMN2PTGS2
SCHEMBL29481933 0.80 SRC (0.62) SRCMAPTALOX15SMN1; SMN2PTGS2
SCHEMBL1257788 0.80 SRC (0.62) SRCMAPTALOX15SMN1; SMN2PTGS2
Hydrochloric Acid SCHEMBL2530248 0.78 SRC (0.61) SRCMAPTALOX15SMN1; SMN2PTGS2
SCHEMBL510547 0.78 SRC (0.61) SRCMAPTALOX15SMN1; SMN2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646306-A Preparation method of 4-methylthio phenylacetic acid 惠州市莱佛士制药技术有限公司 2016-06-08 CN disclosed
CN-101815713-B Polycyclic compounds EISAI R&D MAN CO LTD 2013-09-11 CN disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed
CN-1215835-C Ketone derivatives and medical use thereof TORAY INDUSTRIES (JP) 2005-08-24 CN disclosed
CN-1194580-A Ketone derivatives and medical use thereof TORAY INDUSTRIES (JP) 1998-09-30 CN 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 SRC 850/4885MAPT 3432/4885ALOX15 2185/4885

“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.