SCHEMBL16396235

SCHEMBL16396235

CS(=O)(=O)Nc1cc2cc(C(=O)O)sc2cc1Br

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 4/20 0.48
GPR35 Q9HC97 1/20 0.46
STING1 Q86WV6 5/20 0.40
BCL2L1 Q07817 1/20 0.40
HDAC1 Q13547 5/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
MAPK14 Q16539 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MCL1 Q07820 1/20 0.35

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
SCHEMBL16396068 0.89 PTPN2 (0.50) PTPN2STING1HDAC1HDAC3HDAC4
SCHEMBL16396338 0.83 GPR35 (0.46) PTPN2GPR35STING1BCL2L1HDAC1
SCHEMBL16396080 0.83 GPR35 (0.46) PTPN2GPR35STING1BCL2L1MAPK14
SCHEMBL16396069 0.81 STING1 (0.54) GPR35STING1HDAC1HDAC3HDAC4
SCHEMBL16396067 0.81 GPR35 (0.46) PTPN2GPR35STING1BCL2L1MAPK14
SCHEMBL16396231 0.74 HDAC1 (0.55) GPR35BCL2L1HDAC1HDAC3HDAC4
SCHEMBL15697598 0.74 MEN1 (0.55) GPR35BCL2L1HDAC1HDAC6
SCHEMBL19433555 0.74 MAPT (0.46) PTPN2GPR35STING1HDAC1HDAC3
SCHEMBL16395961 0.73 STING1 (0.51) PTPN2STING1HDAC1HDAC3HDAC4
SCHEMBL16396240 0.73 MEN1 (0.46) PTPN2STING1HDAC1HDAC3HDAC4

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 PTPN2 329/4885GPR35 2270/4885STING1 1378/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A PTPN2 329/4885GPR35 2270/4885STING1 1378/4885

“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.