SCHEMBL3137569

SCHEMBL3137569

COc1cc(-c2cccc(NS(C)(=O)=O)c2)ccc1C(=O)NN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.52
TGFBR1 P36897 1/20 0.52
ACVR1 Q04771 1/20 0.52
CTSD P07339 1/20 0.48
KIF11 P52732 1/20 0.47
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
POLB P06746 1/20 0.47
KDM1A O60341 1/20 0.46
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 4/20 0.46
LMNA P02545 3/20 0.46
CYP2C9 P11712 3/20 0.46
MAPK1 P28482 3/20 0.46
CYP2C19 P33261 3/20 0.46
HIF1A Q16665 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 2/20 0.46
CYP2D6 P10635 2/20 0.46

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
SCHEMBL3143232 0.86 POLB (0.57) FYNTGFBR1ACVR1KIF11HSP90AA1
SCHEMBL3139471 0.86 FYN (0.52) FYNTGFBR1ACVR1KIF11HSP90AA1
SCHEMBL4377535 0.86 FYN (0.47) FYNTGFBR1ACVR1KIF11HSP90AA1
SCHEMBL3138802 0.82 FYN (0.44) FYNTGFBR1ACVR1KIF11HSP90AA1
SCHEMBL3143282 0.81 CTSD (0.64) CTSDKDM4EADRB1ADRB3ROCK2
SCHEMBL3132150 0.79 CTSD (0.54) FYNCTSDLMNAROCK2ROCK1
SCHEMBL3134869 0.79 CTSD (0.54) FYNCTSDLMNAALDH1A1KDM4E
SCHEMBL1308772 0.76 FYN (0.57) FYNTGFBR1ACVR1POLB
SCHEMBL3139617 0.76 SLC22A12 (0.50) CTSDCYP1A2CYP3A4LMNAMAPK1
SCHEMBL3133644 0.74 CTSD (0.58) CTSDPOLBALDH1A1ROCK2ROCK1

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.