SCHEMBL1997806

SCHEMBL1997806

COCCCNC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCS2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
KDM4E B2RXH2 3/20 0.53
CPT2 P23786 2/20 0.53
CPT1A P50416 2/20 0.53
CPT1B Q92523 2/20 0.53
GLA P06280 2/20 0.53
GAA P10253 2/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GFER P55789 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL2001956 0.91 CNR1 (0.66) MAPTKDM4ECPT2CPT1ACPT1B
SCHEMBL2004423 0.87 POLB (0.66) MAPTKDM4EGLAGAAALDH1A1
SCHEMBL2001001 0.83 CPT2 (0.55) MAPTKDM4ECPT2CPT1ACPT1B
SCHEMBL21972125 0.83 KDM4E (0.61) MAPTKDM4ECPT2CPT1ACPT1B
SCHEMBL2002149 0.82 CPT1A (0.58) MAPTCPT2CPT1ACPT1BCNR1
SCHEMBL2003685 0.82 MAPT (0.53) MAPTKDM4EGLAGAAALDH1A1
SCHEMBL2003474 0.80 CPT1A (0.58) MAPTCPT2CPT1ACPT1BCNR1
SCHEMBL2002912 0.79 CPT1A (0.63) MAPTKDM4ECPT2CPT1ACPT1B
SCHEMBL21972409 0.79 CNR1 (0.57) MAPTKDM4ECPT2CPT1ACPT1B
SCHEMBL2004701 0.79 CNR1 (0.82) MAPTKDM4ECPT2CPT1ACPT1B

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 4230/4885CPT2 3725/4885

“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.