SCHEMBL2001965

SCHEMBL2001965

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCSc2ccc(-c3nc(-c4ccccn4)no3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
RORC P51449 3/20 0.42
MAPT P10636 7/20 0.42
TP53 P04637 6/20 0.42
PKM P14618 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
KLF5 Q13887 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRM5 P41594 5/20 0.42
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1998709 0.91 CA2 (0.48) CA2CA9RORCMAPTTP53
SCHEMBL2000455 0.91 CA2 (0.49) CA2CA9MAPTTP53PKM
SCHEMBL2001224 0.86 NPC1 (0.48) RORCSMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL2002816 0.82 KMT2A (0.43) RORCTSHRALDH1A1KDM4ELMNA
SCHEMBL1996870 0.81 KMT2A (0.43) RORCTP53SMN1; SMN2TSHRKDM4E
SCHEMBL1994697 0.81 RORC (0.47) RORCMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL1997923 0.79 RORC (0.50) CA2CA9RORCSMN1; SMN2ALDH1A1
SCHEMBL1998946 0.79 PTPN2 (0.52) RORCNR1I2NR1H2NR1H3
SCHEMBL4055412 0.78 RORC (0.57) RORCALDH1A1NR1I2NR1H2NR1H3
SCHEMBL1996611 0.76 NPSR1 (0.40) RORCMAPTSMN1; SMN2ALDH1A1KDM4E

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 CA2 743/4885CA9 1893/4885RORC 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.