SCHEMBL3613495

SCHEMBL3613495

COc1c(C#N)ccc2oc(CBr)c(C)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.37
MMP13 P45452 2/20 0.37
ALOX5 P09917 2/20 0.34
GPR35 Q9HC97 1/20 0.32
IMPDH2 P12268 2/20 0.31
ALDH1A1 P00352 2/20 0.31
AR P10275 2/20 0.31
TSHR P16473 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
IMPDH1 P20839 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL3611013 0.86 MMP2 (0.39) MMP2MMP13ALOX5IMPDH2ALDH1A1
SCHEMBL3609670 0.78 ALOX5 (0.36) MMP2MMP13ALOX5ALDH1A1TSHR
SCHEMBL3619242 0.73 EDNRA (0.52) MMP2MMP13GPR35IMPDH2ALDH1A1
SCHEMBL3618589 0.69 MMP2 (0.46) MMP2MMP13IMPDH2ALDH1A1SMN1; SMN2
SCHEMBL7961132 0.68 ALDH1A1 (0.48) IMPDH2ALDH1A1ARTSHRMEN1
SCHEMBL286442 0.66 GPR35 (0.38) GPR35IMPDH2ALDH1A1ARTSHR
SCHEMBL3606887 0.66 MMP2 (0.44) MMP2MMP13ALOX5IMPDH2ALDH1A1
SCHEMBL3605293 0.66 MMP2 (0.41) MMP2MMP13ALOX5ALDH1A1TSHR
SCHEMBL9522127 0.64 ALDH1A1 (0.52) IMPDH2ALDH1A1ARIMPDH1KDM4E
SCHEMBL7717027 0.64 TSHR (0.38) IMPDH2ALDH1A1TSHRMEN1KMT2A

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

“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.