SCHEMBL1999110

SCHEMBL1999110

O=C(Cl)c1ccc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCS2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.54
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
NR1I2 O75469 1/20 0.53
NR1H2 P55055 1/20 0.53
NR1H3 Q13133 1/20 0.53
CPT1A P50416 5/20 0.47
CPT1B Q92523 4/20 0.47
CPT2 P23786 3/20 0.47
MAPT P10636 3/20 0.44
TRPV4 Q9HBA0 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
CYP11B1 P15538 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL2001054 0.90 CNR1 (0.57) RORCCNR1CNR2NR1I2NR1H2
SCHEMBL1998496 0.88 CNR1 (0.68) RORCCNR1CNR2NR1I2NR1H2
SCHEMBL1998173 0.87 CNR1 (0.52) RORCCNR1CNR2NR1I2NR1H2
SCHEMBL1996586 0.86 CNR1 (0.54) RORCCNR1CNR2NR1I2NR1H2
SCHEMBL1999022 0.85 CNR1 (0.53) RORCCNR1CNR2NR1I2NR1H2
SCHEMBL1999370 0.85 CNR1 (0.57) RORCCNR1CNR2NR1I2NR1H2
SCHEMBL1995905 0.84 CNR1 (0.49) RORCCNR1CNR2NR1I2NR1H2
SCHEMBL1997510 0.84 POLB (0.50) RORCCNR1CNR2NR1I2NR1H2
SCHEMBL4062546 0.81 RORC (0.53) RORCCNR1CNR2NR1I2NR1H2
SCHEMBL2000050 0.81 CNR1 (0.53) RORCCNR1CNR2NR1I2NR1H2

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-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

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 RORC 21/4885CNR1 1/4885CNR2 2/4885

“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.