SCHEMBL1999367

SCHEMBL1999367

O=S(=O)(c1ccc(F)cc1)N1CCSc2ccc(-c3nnc(-c4ccccc4)o3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
RORC P51449 4/20 0.47
NR1I2 O75469 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ADCY1 Q08828 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1997923 0.89 RORC (0.50) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1993866 0.79 CNR2 (0.46) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1998709 0.78 CA2 (0.48) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1994714 0.77 RORC (0.46) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1995614 0.77 CNR1 (0.48) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1994697 0.77 RORC (0.47) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL4055412 0.76 RORC (0.57) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL2003699 0.74 CNR1 (0.72) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1998946 0.74 PTPN2 (0.52) RORCNR1I2NR1H2NR1H3CYP11B1
SCHEMBL1998750 0.73 CNR1 (0.69) CNR1CNR2RORCNR1I2NR1H2

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 9 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
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.