SCHEMBL2000455

SCHEMBL2000455

O=S(=O)(c1ccccc1)N1CCSc2ccc(-c3nc(-c4ccccn4)no3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
TP53 P04637 10/20 0.47
PKM P14618 9/20 0.47
MAPT P10636 9/20 0.47
SMN1; SMN2 Q16637 8/20 0.47
TSHR P16473 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
KLF5 Q13887 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 10/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 9/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
ESR2 Q92731 1/20 0.46

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 0.93 CA2 (0.48) CA2CA9TP53PKMMAPT
SCHEMBL2001965 0.91 CA2 (0.46) CA2CA9TP53PKMMAPT
SCHEMBL1996272 0.81 RORC (0.44) MAPTALDH1A1LMNA
SCHEMBL1993263 0.81 GPR119 (0.43) TP53PKMMAPTSMN1; SMN2ALDH1A1
SCHEMBL2001224 0.75 NPC1 (0.48) SMN1; SMN2TSHRALDH1A1KDM4EHSD17B10
SCHEMBL1994697 0.74 RORC (0.47) TP53MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1995614 0.72 CNR1 (0.48) TP53MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL1994714 0.72 RORC (0.46) SMN1; SMN2ALDH1A1NPSR1KMT2AMEN1
SCHEMBL12818582 0.72 PKM (0.44) PKMMAPTSMN1; SMN2TSHRALDH1A1
SCHEMBL1999367 0.71 CNR1 (0.48) CA2CA9PKMSMN1; SMN2TSHR

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 1893/4885TP53 3987/4885

“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.