SCHEMBL3138580

SCHEMBL3138580

COc1cc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
STAT3 P40763 1/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ABCB1 P08183 2/20 0.42
ROCK2 O75116 5/20 0.42
ROCK1 Q13464 5/20 0.42
TNFRSF1A P19438 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL3135683 0.90 SMN1; SMN2 (0.49) SMN1; SMN2NPC1STAT3GAAALDH1A1
SCHEMBL4849121 0.82 ALDH1A1 (0.56) SMN1; SMN2STAT3GAAALDH1A1MEN1
SCHEMBL3138941 0.80 SLC22A12 (0.44) NPC1STAT3GAAALDH1A1RAB9A
SCHEMBL3135536 0.79 CTSD (0.53) SMN1; SMN2NPC1GAAABCB1ROCK2
SCHEMBL3138802 0.78 FYN (0.44) SMN1; SMN2STAT3GAAALDH1A1MEN1
SCHEMBL3139236 0.77 CHEK1 (0.51) GAAABCB1ROCK2ROCK1TNFRSF1A
SCHEMBL15026732 0.77 GAA (0.47) SMN1; SMN2NPC1GAAALDH1A1MEN1
SCHEMBL3138697 0.76 ALDH1A1 (0.54) SMN1; SMN2NPC1ALDH1A1ABCB1TNFRSF1A
SCHEMBL15741815 0.76 RAB9A (0.53) SMN1; SMN2NPC1STAT3GAAALDH1A1
SCHEMBL805306 0.75 CES2 (0.46) SMN1; SMN2NPC1STAT3GAAALDH1A1

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 SMN1; SMN2 3807/4885NPC1 247/4885STAT3 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.