SCHEMBL1997340

SCHEMBL1997340

CCC(=O)N1CCSc2ccc(C(=O)NC(C)(C)C)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 4/20 0.45
CASP1 P29466 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
CASP7 P55210 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
PPARG P37231 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 3/20 0.43

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
SCHEMBL1995768 0.87 NOTUM (0.53) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1999119 0.84 MAPT (0.45) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2001916 0.83 RAB9A (0.47) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL1996990 0.83 MAPT (0.50) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL1996799 0.82 MAPT (0.51) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1995486 0.82 KDM4E (0.55) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1999061 0.81 ALDH1A1 (0.61) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2005128 0.80 RAB9A (0.57) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2000046 0.78 CNR2 (0.47) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1999142 0.78 CPT1A (0.50) MAPTKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US claimed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
WO-2009035997-A2 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 WO 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-20090075973-A1 BENZO-FUSED HETEROCYCLES CNR1, CNR2, TRPV1 MAPT 1743/4885KDM4E 4230/4885ALDH1A1 1422/4885

“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.