SCHEMBL1996870

SCHEMBL1996870

CCc1noc(-c2ccc3c(c2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCS3)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
RORC P51449 4/20 0.42
NR1I2 O75469 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP11B1 P15538 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL1995614 0.90 CNR1 (0.48) KMT2ARORCNR1I2NR1H2NR1H3
SCHEMBL1993263 0.88 GPR119 (0.43) KDM4ERORCGPR119CYP11B1CNR1
SCHEMBL2002816 0.87 KMT2A (0.43) KMT2AKDM4EMEN1TSHRRORC
SCHEMBL2001224 0.83 NPC1 (0.48) KMT2AKDM4EMEN1TSHRRORC
SCHEMBL2001965 0.81 CA2 (0.46) KMT2AKDM4EMEN1TSHRRORC
SCHEMBL1994697 0.79 RORC (0.47) KDM4ERORCNR1I2NR1H2NR1H3
SCHEMBL1997923 0.78 RORC (0.50) KMT2AKDM4EMEN1RORCNR1I2
SCHEMBL1998946 0.78 PTPN2 (0.52) RORCNR1I2NR1H2NR1H3CYP11B1
SCHEMBL1994714 0.78 RORC (0.46) KMT2AMEN1RORCNR1I2NR1H2
SCHEMBL4055412 0.77 RORC (0.57) RORCNR1I2NR1H2NR1H3CYP11B1

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 KMT2A 4507/4885KDM4E 4230/4885MEN1 4313/4885

“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.