SCHEMBL3138941

SCHEMBL3138941

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.44
XDH P47989 1/20 0.44
STAT3 P40763 1/20 0.41
ACLY P53396 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
KIT P10721 1/20 0.40
SGK1 O00141 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PTPN5 P54829 1/20 0.39
PLAU P00749 1/20 0.39
STK10 O94804 1/20 0.39
SLK Q9H2G2 1/20 0.39
CNR2 P34972 1/20 0.39
CTSA P10619 1/20 0.38
KAT6A Q92794 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3139617 0.81 SLC22A12 (0.50) SLC22A12XDHACLYEGLN1KIT
SCHEMBL3135683 0.80 SMN1; SMN2 (0.49) STAT3ACLYALDH1A1GAANPC1
SCHEMBL3138580 0.80 SMN1; SMN2 (0.45) STAT3ALDH1A1GAANPC1RAB9A
SCHEMBL3138802 0.79 FYN (0.44) STAT3ALDH1A1GAAPOLB
SCHEMBL3139410 0.79 SLC22A12 (0.53) SLC22A12XDHACLYEGLN1KIT
SCHEMBL3138892 0.78 SLC22A12 (0.66) SLC22A12XDHACLYKITALDH1A1
SCHEMBL29306640 0.75 KMT2A (0.46) ALDH1A1GAAKAT6A
SCHEMBL4849121 0.74 ALDH1A1 (0.56) STAT3ALDH1A1GAA
SCHEMBL24890900 0.74 TSHR (0.52) ALDH1A1GAANPC1POLBRAB9A
SCHEMBL1692763 0.72 GRM5 (0.44) ALDH1A1KAT6ANPC1POLBRAB9A

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 SLC22A12 803/4885XDH 214/4885STAT3 2691/4885

“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.