SCHEMBL10114592

SCHEMBL10114592

COOSCCc1cnc(NC(=O)c2ccc(OC(C)=O)c(Cl)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.48
STAT3 P40763 1/20 0.42
TP53 P04637 3/20 0.40
NPC1 O15118 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.40
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
CDK2 P24941 1/20 0.39
KDR P35968 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
SCHEMBL10114624 0.83 ALDH1A1 (0.46) SCDTP53CYP1A2CYP2C19RAB9A
SCHEMBL10114371 0.83 SCD (0.40) SCDCYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL4938271 0.82 SCD (0.48) SCDSTAT3TP53NPC1CYP1A2
SCHEMBL4757218 0.70 STAT3 (0.48) SCDSTAT3TP53NPC1CYP1A2
SCHEMBL4932516 0.67 ALDH1A1 (0.45) SCDCYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL5835455 0.67 CCNE1 (0.59) SCDSTAT3TP53NPC1CYP1A2
SCHEMBL10114325 0.65 LMNA (0.39) SCDSTAT3TP53NPC1CYP1A2
SCHEMBL13081833 0.64 SCD (0.56) SCDTP53NPC1RAB9ASMN1; SMN2
SCHEMBL4938820 0.64 SCD (0.40) SCDCYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL10114568 0.63 TOP1 (0.44) STAT3TP53NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124632-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2012-02-28 US disclosed
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. 2009-02-05 US 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-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC SCD 1845/4885STAT3 63/4885TP53 653/4885

“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.