SCHEMBL16396143

SCHEMBL16396143

CS(=O)(=O)Nc1ccc2sc(C(=O)O)c(O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.47
MMP13 P45452 2/20 0.47
PFKFB3 Q16875 2/20 0.41
PTPN1 P18031 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IGFBP3 P17936 1/20 0.39
GPR35 Q9HC97 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
KEAP1 Q14145 1/20 0.38

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
SCHEMBL16396941 0.86 POLB (0.48) MMP12MMP13PFKFB3ALDH1A1HSD17B10
SCHEMBL16396171 0.78 GPR35 (0.50) MMP12MMP13PTPN1ALDH1A1SMN1; SMN2
SCHEMBL17173228 0.74 MCL1 (0.55) SMN1; SMN2GPR35
SCHEMBL15697598 0.71 MEN1 (0.55) MMP12MMP13HDAC6GPR35POLB
SCHEMBL16396342 0.71 GPR35 (0.45) PTPN1ALDH1A1SMN1; SMN2GPR35HSD17B10
SCHEMBL15697527 0.71 G6PD (0.43) ALDH1A1SMN1; SMN2GPR35HSD17B10
SCHEMBL16396231 0.69 HDAC1 (0.55) HDAC6GPR35POLB
SCHEMBL14594642 0.68 ALDH1A1 (0.59) PFKFB3ALDH1A1HSD17B10POLB
SCHEMBL28939429 0.68 ALDH1A1 (0.62) PFKFB3ALDH1A1SMN1; SMN2HSD17B10POLB
SCHEMBL11804710 0.67 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GPR35POLB

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 MMP12 640/4885MMP13 824/4885PFKFB3 4349/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A MMP12 640/4885MMP13 824/4885PFKFB3 4349/4885

“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.