SCHEMBL2003701

SCHEMBL2003701

CC1(C)CCN(S(=O)(=O)c2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2S1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
TSHR P16473 2/20 0.43
TP53 P04637 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 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
SCHEMBL2000042 0.90 TSHR (0.47) HPGDALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL2000823 0.89 CNR1 (0.48) HPGDLMNAMAPTSMN1; SMN2TP53
SCHEMBL2002323 0.87 MCL1 (0.47) MAPTSMN1; SMN2TP53KMT2ACYP3A4
SCHEMBL1999363 0.85 CPT2 (0.41) MAPTALDH1A1SMN1; SMN2TP53KMT2A
SCHEMBL1998986 0.85 CYP2C9 (0.48) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL1995496 0.82 HPGD (0.65) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL2000215 0.81 NPC1 (0.43) MAPTSMN1; SMN2TP53KMT2AMEN1
SCHEMBL1994888 0.81 HPGD (0.63) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL4049757 0.81 ALDH1A1 (0.47) LMNAALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL13907098 0.79 CPT2 (0.47) MAPTTP53KMT2ACYP2C9GAA

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 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 HPGD 291/4885LMNA 3328/4885MAPT 1743/4885

“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.