SCHEMBL1269462

SCHEMBL1269462

O=S(=O)(c1ccc(S)cc1)C1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDIT3 P35638 1/20 0.44
MMP13 P45452 2/20 0.41
NAMPT P43490 8/20 0.40
TXNRD1 Q16881 1/20 0.40
GCK P35557 3/20 0.37
PIK3CA P42336 2/20 0.36
AKT1 P31749 1/20 0.36
MTOR P42345 1/20 0.36
MMP1 P03956 1/20 0.36
MMP8 P22894 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
SCHEMBL1268648 0.82 MMP13 (0.45) DDIT3MMP13NAMPTTXNRD1MMP1
SCHEMBL2632976 0.81 DDIT3 (0.44) DDIT3NAMPTTXNRD1PIK3CAAKT1
SCHEMBL1938630 0.81 DDIT3 (0.44) DDIT3MMP13NAMPTTXNRD1
SCHEMBL5319901 0.81 MMP13 (0.45) DDIT3MMP13TXNRD1MMP1
SCHEMBL23633178 0.81 MMP13 (0.44) DDIT3MMP13NAMPTTXNRD1MMP1
SCHEMBL15231519 0.77 CCR6 (0.46) DDIT3MMP13NAMPTMMP1
SCHEMBL17374627 0.77 MMP13 (0.63) MMP13TXNRD1MMP1MMP8
SCHEMBL5321127 0.77 DDIT3 (0.47) DDIT3NAMPT
SCHEMBL2632975 0.77 DDIT3 (0.53) DDIT3MMP13TXNRD1MMP1MMP8
SCHEMBL15573285 0.74 CA2 (0.37) MMP13MMP1MMP8

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-7893077-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2011-02-22 US disclosed
EP-1786782-B1 BISARYL-SULFONAMIDES AMGEN INC (US) 2010-03-31 EP disclosed
US-20090221584-A1 Bisaryl-sulfonamides AMGEN INC. 2009-09-03 US disclosed
US-7544702-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2009-06-09 US disclosed
EP-1786782-A2 BISARYL-SULFONAMIDES Amgen Inc. (US) 2007-05-23 EP disclosed
US-20060084802-A1 Bisaryl-sulfonamides AMGEN INC. 2006-04-20 US disclosed
WO-2006020830-A2 BISARYL-SULFONAMIDES AMGEN INC. (US) 2006-02-23 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 (2 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-20090221584-A1 Bisaryl-sulfonamides PPARD, PPARA, PPARG DDIT3 2153/4885MMP13 1390/4885NAMPT 1256/4885
US-20060084802-A1 Bisaryl-sulfonamides PPARD, PPARA, PPARG DDIT3 2153/4885MMP13 1390/4885NAMPT 1256/4885

“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.