SCHEMBL3609670

SCHEMBL3609670

COc1c(Cl)ccc2oc(CBr)c(C)c12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.36
MMP2 P08253 2/20 0.34
MMP13 P45452 2/20 0.34
MMP14 P50281 2/20 0.34
MMP1 P03956 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALOX15 P16050 1/20 0.32
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL3621258 0.84 ALOX5 (0.39) ALOX5MMP2MMP13MMP14MMP1
SCHEMBL3613495 0.78 MMP2 (0.37) ALOX5MMP2MMP13MMP14ALDH1A1
SCHEMBL3605293 0.72 MMP2 (0.41) ALOX5MMP2MMP13MMP14MMP1
SCHEMBL3613925 0.71 EDNRA (0.56) MMP2MMP13MMP14MMP1ALDH1A1
SCHEMBL3608849 0.70 RAB9A (0.56) MMP2MMP13MMP14MMP1ALDH1A1
SCHEMBL3606887 0.69 MMP2 (0.44) ALOX5MMP2MMP13MMP14MMP1
SCHEMBL4452101 0.66 MCL1 (0.51) ALDH1A1KDM4ESMN1; SMN2RXFP1
SCHEMBL11484541 0.65 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10TSHRSMN1; SMN2
SCHEMBL3611013 0.63 MMP2 (0.39) ALOX5MMP2MMP13MMP14ALDH1A1
SCHEMBL3618855 0.62 ELANE (0.41) ALOX5MMP2MMP13

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 ALOX5 1118/4885MMP2 5/4885MMP13 13/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC ALOX5 1118/4885MMP2 5/4885MMP13 13/4885

“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.