SCHEMBL16396171

SCHEMBL16396171

Cc1c(C(=O)O)sc2cc(NS(C)(=O)=O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.50
TBXAS1 P24557 3/20 0.49
MMP12 P39900 4/20 0.47
MMP13 P45452 2/20 0.45
MCL1 Q07820 2/20 0.43
BCL2L1 Q07817 1/20 0.43
RXFP1 Q9HBX9 3/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KAT2B Q92831 1/20 0.40
PTPN1 P18031 1/20 0.40
BCKDK O14874 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRNP P04156 1/20 0.39
LIMK1 P53667 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL16395999 0.83 HPGD (0.54) MMP12MMP13ALDH1A1SMN1; SMN2
SCHEMBL16396143 0.78 MMP12 (0.47) GPR35MMP12MMP13PTPN1ALDH1A1
SCHEMBL15619574 0.76 MCL1 (0.71) GPR35TBXAS1MCL1BCL2L1RXFP1
SCHEMBL2895958 0.73 GPR35 (0.58) GPR35TBXAS1MCL1BCL2L1RXFP1
SCHEMBL2895162 0.73 BCKDK (0.67) GPR35TBXAS1MCL1BCL2L1RXFP1
SCHEMBL12153769 0.73 MCL1 (0.71) GPR35TBXAS1MCL1BCL2L1RXFP1
SCHEMBL2896302 0.72 CES2 (0.63) GPR35TBXAS1MCL1BCL2L1RXFP1
SCHEMBL16396231 0.71 HDAC1 (0.55) GPR35TBXAS1BCL2L1
SCHEMBL3572338 0.71 GPR35 (0.55) GPR35TBXAS1MCL1BCL2L1RXFP1
SCHEMBL10952974 0.71 TBXAS1 (0.60) GPR35TBXAS1MCL1BCL2L1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 EP disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 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 (2 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-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A GPR35 2270/4885TBXAS1 288/4885MMP12 640/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A GPR35 2270/4885TBXAS1 288/4885MMP12 640/4885

“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.