SCHEMBL3613259

SCHEMBL3613259

COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3nc4ccccc4s3)cc2)cc1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
PKM P14618 2/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.58
MMP2 P08253 11/20 0.54
MMP9 P14780 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
MMP13 P45452 7/20 0.49
ADAMTS4 O75173 4/20 0.49
MMP14 P50281 3/20 0.49
MMP7 P09237 2/20 0.49

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
SCHEMBL14078093 0.90 MMP2 (0.63) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL13314523 0.90 MMP2 (0.63) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL3605361 0.90 MMP2 (0.63) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL3614898 0.81 MMP2 (0.57) NPC1RAB9AMEN1ALDH1A1MAPT
SCHEMBL1656424 0.80 ADAMTS4 (0.57) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3612608 0.79 MMP2 (0.50) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3612614 0.79 MMP2 (0.50) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3615016 0.78 MMP2 (0.48) MMP2MMP9MMP13ADAMTS4MMP14
SCHEMBL3615022 0.78 MMP2 (0.48) MMP2MMP9MMP13ADAMTS4MMP14
SCHEMBL3612405 0.77 MMP2 (0.64) MMP2MMP9MMP13ADAMTS4MMP14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US disclosed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 US disclosed
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 US 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-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC NPC1 2605/4885RAB9A 3864/4885SMN1; SMN2 3220/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC NPC1 2605/4885RAB9A 3864/4885SMN1; SMN2 3220/4885

“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.