SCHEMBL2003576

SCHEMBL2003576

CC(C)NC(=O)c1ccc2c(c1)N(S(C)(=O)=O)CCS2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
CPT1A P50416 5/20 0.50
CPT1B Q92523 4/20 0.50
CPT2 P23786 3/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPK1 P28482 1/20 0.45
PPARG P37231 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL2002149 0.85 CPT1A (0.58) MAPTCPT1ACPT1BCPT2CNR1
SCHEMBL1996659 0.85 MAPT (0.49) MAPTCPT1ACPT1BCPT2CNR1
SCHEMBL1999142 0.83 CPT1A (0.50) MAPTCPT1ACPT1BCPT2CNR1
SCHEMBL1999751 0.83 CNR2 (0.71) MAPTCPT1ACPT1BCPT2CNR1
SCHEMBL2004423 0.80 POLB (0.66) MAPTKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL1997641 0.80 MAPT (0.52) MAPTKDM4EALDH1A1ALOX15CASP1
SCHEMBL2001847 0.77 MAPT (0.50) MAPTKDM4EALDH1A1ALOX15CASP1
SCHEMBL1998544 0.77 MAPT (0.57) MAPTKDM4EALDH1A1ALOX15CASP1
SCHEMBL1998056 0.76 MAPT (0.51) MAPTCNR1CNR2KDM4EALDH1A1
SCHEMBL1999173 0.76 KDM4E (0.55) MAPTKDM4EALDH1A1ALOX15CASP1

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 1743/4885CPT1A 1957/4885CPT1B 4018/4885

“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.