SCHEMBL4057100

SCHEMBL4057100

Cc1ccc(N2c3ccccc3NS2(=O)=O)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRL1 P41146 6/20 0.33
OPRM1 P35372 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4054128 0.82 OPRL1 (0.34) NPC1RAB9ASMN1; SMN2OPRL1OPRM1
SCHEMBL4943537 0.79 SMN1; SMN2 (0.38) SMN1; SMN2OPRL1KDM4ERECQLALDH1A1
SCHEMBL4057477 0.79 SMN1; SMN2 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4055064 0.77 LMNA (0.39) NPC1TP53PKMRAB9AOPRL1
SCHEMBL4065508 0.75 RECQL (0.40) SMN1; SMN2OPRL1OPRM1KDM4ERECQL
SCHEMBL3600126 0.73 MGLL (0.39) SMN1; SMN2OPRL1OPRM1KDM4ERECQL
SCHEMBL4065561 0.71 TDP1 (0.37) OPRL1OPRM1KDM4ERECQLALDH1A1
SCHEMBL3600016 0.71 KDM4E (0.35) OPRL1OPRM1KDM4ERECQLALDH1A1
SCHEMBL4059578 0.71 NPSR1 (0.37) RAB9AOPRL1ALDH1A1AKT1
SCHEMBL4059648 0.71 SLC6A2 (0.42) ALDH1A1

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
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 GRIN2D 877/4885GRIN3B 1643/4885GRIN1 1078/4885

“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.