SCHEMBL1998986

SCHEMBL1998986

COC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC(C)(C)S2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
MAPT P10636 5/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
GLA P06280 1/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CPT2 P23786 1/20 0.40
CPT1A P50416 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
SCHEMBL2002323 0.90 MCL1 (0.47) CYP2C9MAPTKMT2AMEN1TP53
SCHEMBL1999363 0.88 CPT2 (0.41) CYP2C9MAPTALDH1A1KMT2AMEN1
SCHEMBL2000215 0.86 NPC1 (0.43) MAPTKMT2AMEN1TP53SMN1; SMN2
SCHEMBL2003701 0.85 HPGD (0.48) CYP2C9MAPTGAAKDM4EALDH1A1
SCHEMBL21972125 0.84 KDM4E (0.61) CYP2C9MAPTGAAKDM4EALDH1A1
SCHEMBL2002470 0.83 MAPT (0.45) MAPTGAAHSD17B10KMT2AMEN1
SCHEMBL1999752 0.83 MAPT (0.45) MAPTKMT2AMEN1TP53SMN1; SMN2
SCHEMBL2000042 0.83 TSHR (0.47) CYP2C9ALDH1A1KMT2APKMHPGD
SCHEMBL1998982 0.83 CNR1 (0.43) MAPTKMT2AMEN1TP53CPT2
SCHEMBL4050862 0.83 CNR1 (0.43) MAPTKMT2AMEN1TP53CPT2

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 3 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-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 CYP2C9 210/4885MAPT 1743/4885GAA 2326/4885

“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.