SCHEMBL16396248

SCHEMBL16396248

CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.48
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
LEF1 Q9UJU2 1/20 0.44
BCL2L1 Q07817 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
GPR35 Q9HC97 1/20 0.41
PSMB8 P28062 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
TBXAS1 P24557 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP17A1 P05093 1/20 0.39
FLT3 P36888 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
SCHEMBL1090962 0.90 HDAC1 (0.48) HDAC1LEF1BCL2L1CA12CA1
SCHEMBL22825030 0.89 HDAC1 (0.56) HDAC1MEN1KMT2AHDAC3HDAC2
SCHEMBL22824938 0.86 HDAC1 (0.43) HDAC1MEN1MAPTKMT2ALEF1
SCHEMBL16395811 0.85 PTPN2 (0.47) HDAC1MEN1MAPTKMT2ALEF1
SCHEMBL22825116 0.85 HDAC1 (0.43) HDAC1MEN1MAPTKMT2ALEF1
SCHEMBL22824734 0.84 LCK (0.58) MEN1MAPTKMT2A
SCHEMBL22824882 0.82 HDAC1 (0.41) HDAC1MEN1MAPTKMT2ALEF1
SCHEMBL22824755 0.82 HDAC1 (0.53) HDAC1MEN1MAPTKMT2ALEF1
SCHEMBL17668166 0.82 CA12 (0.43) LEF1CA12CA1CA9PSMB8
SCHEMBL17135415 0.80 HDAC1 (0.55) HDAC1MEN1MAPTKMT2ABCL2L1

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 HDAC1 144/4885MEN1 3206/4885MAPT 4514/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A HDAC1 144/4885MEN1 3206/4885MAPT 4514/4885

“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.