SCHEMBL1994697

SCHEMBL1994697

O=S(=O)(c1ccc(F)cc1)N1CCSc2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.47
NR1I2 O75469 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NR1H4 Q96RI1 1/20 0.43
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP3 P42574 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL2001224 0.95 NPC1 (0.48) RORCNR1I2NR1H2NR1H3NPSR1
SCHEMBL1996611 0.83 NPSR1 (0.40) RORCNR1I2NR1H2NR1H3NPSR1
SCHEMBL1998709 0.81 CA2 (0.48) RORCNR1I2NR1H2NR1H3NPSR1
SCHEMBL2001965 0.81 CA2 (0.46) RORCNR1I2NR1H2NR1H3NPSR1
SCHEMBL1994714 0.81 RORC (0.46) RORCNR1I2NR1H2NR1H3NPSR1
SCHEMBL2002816 0.79 KMT2A (0.43) RORCNR1I2NR1H2NR1H3CNR1
SCHEMBL1995614 0.79 CNR1 (0.48) RORCNR1I2NR1H2NR1H3CNR1
SCHEMBL1996870 0.79 KMT2A (0.43) RORCNR1I2NR1H2NR1H3CNR1
SCHEMBL1999367 0.77 CNR1 (0.48) RORCNR1I2NR1H2NR1H3CNR1
SCHEMBL1997923 0.76 RORC (0.50) RORCNR1I2NR1H2NR1H3NPSR1

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 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

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 21/4885NR1I2 60/4885NR1H2 70/4885

“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.