SCHEMBL3138802

SCHEMBL3138802

COc1cc(-c2cccc(NS(C)(=O)=O)c2)ccc1C(=O)NNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.44
TGFBR1 P36897 1/20 0.44
ACVR1 Q04771 1/20 0.44
KIF11 P52732 1/20 0.44
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
BRD4 O60885 1/20 0.40
STAT3 P40763 1/20 0.40
HCRTR2 O43614 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 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
SCHEMBL4377535 0.86 FYN (0.47) FYNTGFBR1ACVR1KIF11HSD17B1
SCHEMBL3137569 0.82 FYN (0.52) FYNTGFBR1ACVR1KIF11POLB
SCHEMBL3143232 0.80 POLB (0.57) FYNTGFBR1ACVR1KIF11HSD17B1
SCHEMBL3139471 0.80 FYN (0.52) FYNTGFBR1ACVR1KIF11POLB
SCHEMBL3138941 0.79 SLC22A12 (0.44) POLBALDH1A1GAASTAT3
SCHEMBL3135683 0.78 SMN1; SMN2 (0.49) ALDH1A1GAASTAT3LMNASMN1; SMN2
SCHEMBL3138580 0.78 SMN1; SMN2 (0.45) ALDH1A1GAASTAT3LMNASMN1; SMN2
SCHEMBL4849121 0.73 ALDH1A1 (0.56) ALDH1A1GAASTAT3LMNAMAPT
SCHEMBL15741815 0.69 RAB9A (0.53) ALDH1A1GAASTAT3KDM4EMAPT
SCHEMBL25367543 0.69 CYP17A1 (0.44) KIF11HSD17B1HSD17B2ALDH1A1CYP3A4

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-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 US disclosed
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 EP 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-20100004221-A1 THIAZEPINE DERIVATIVE HSD11B1, HSD17B1, HSD3B1 FYN 4502/4885TGFBR1 1717/4885ACVR1 2172/4885

“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.