SCHEMBL4057477

SCHEMBL4057477

Cc1ccnc(N2c3ccccc3NS2(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
MAPT P10636 2/20 0.36
EGLN2 Q96KS0 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4943537 0.81 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL4057100 0.79 GRIN2D (0.37) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4059648 0.75 SLC6A2 (0.42) ALDH1A1LMNAMAPTGLAGAA
SCHEMBL4065508 0.74 RECQL (0.40) SMN1; SMN2TSHRALDH1A1LMNAKDM4E
SCHEMBL4059578 0.73 NPSR1 (0.37) RAB9AALDH1A1LMNACYP2C9CYP2C19
SCHEMBL3600016 0.73 KDM4E (0.35) TSHRALDH1A1LMNAMAPTKDM4E
SCHEMBL4055064 0.73 LMNA (0.39) NPC1RAB9APKMALDH1A1LMNA
SCHEMBL3600126 0.72 MGLL (0.39) SMN1; SMN2ALDH1A1MAPTKDM4EOPRL1
SCHEMBL4065561 0.70 TDP1 (0.37) ALDH1A1LMNAMAPTKDM4EOPRL1
SCHEMBL4054128 0.70 OPRL1 (0.34) SMN1; SMN2NPC1RAB9ALMNAKDM4E

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 SMN1; SMN2 356/4885GRIN2D 877/4885GRIN3B 1643/4885

“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.