SCHEMBL2107612

SCHEMBL2107612

COc1cc([C@@H](C)NC(C)=O)c(Cl)cc1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ACACB O00763 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
NR3C1 P04150 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2107613 1.00 TNFSF11 (0.46) TNFSF11SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL28975019 0.78 TNFSF11 (0.66) TNFSF11SMN1; SMN2CYP3A4TSHRNPC1
SCHEMBL13683175 0.77 ACACB (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2729406 0.75 TNFSF11 (0.67) TNFSF11CYP3A4TSHRRAB9AMEN1
SCHEMBL2106645 0.74 HPGD (0.54) SMN1; SMN2ACACBTSHRNR3C1LMNA
SCHEMBL2106643 0.74 HPGD (0.54) SMN1; SMN2ACACBTSHRNR3C1LMNA
SCHEMBL16200318 0.74 ACACB (0.43) SMN1; SMN2ACACBL3MBTL1NPC1RAB9A
SCHEMBL9347424 0.72 TNFSF11 (0.43) TNFSF11SMN1; SMN2TSHRL3MBTL1NPC1
SCHEMBL21723164 0.71 TNFSF11 (0.83) TNFSF11SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL27602532 0.71 TNFSF11 (0.83) TNFSF11SMN1; SMN2CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
EP-2222631-B1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-08-17 EP disclosed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 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-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS TRPV1, P2RY1, TRPV2 TNFSF11 2247/4885SMN1; SMN2 1125/4885CYP1A2 1772/4885

“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.