SCHEMBL1999477

SCHEMBL1999477

CC1(C)CCN(S(=O)(=O)c2ccc(F)cc2)c2cc(C(=O)O)ccc2S1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
RORC P51449 8/20 0.45
NR1I2 O75469 3/20 0.45
NR1H2 P55055 3/20 0.45
NR1H3 Q13133 3/20 0.45
CPT2 P23786 2/20 0.42
CPT1A P50416 2/20 0.42
CPT1B Q92523 2/20 0.42
MCL1 Q07820 3/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BCL2L1 Q07817 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
SCHEMBL13907098 0.90 CPT2 (0.47) CNR1CNR2CPT2CPT1ACPT1B
SCHEMBL2002323 0.90 MCL1 (0.47) CNR1CNR2CPT2CPT1ACPT1B
SCHEMBL2000823 0.88 CNR1 (0.48) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1993673 0.86 CNR2 (0.73) CNR1CNR2KMT2AMEN1
SCHEMBL4049757 0.85 ALDH1A1 (0.47) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1999363 0.82 CPT2 (0.41) CPT2CPT1ACPT1BMCL1KMT2A
SCHEMBL2003699 0.81 CNR1 (0.72) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1998986 0.81 CYP2C9 (0.48) CPT2CPT1ACPT1BKMT2AMEN1
SCHEMBL12567617 0.80 CNR1 (0.46) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1996818 0.80 CNR1 (0.49) CNR1CNR2RORCKMT2AMEN1

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

“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.