SCHEMBL3606940

SCHEMBL3606940

Cc1c(C(=O)O)oc2ccc(Cl)c(OC(C)C)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.53
MMP13 P45452 4/20 0.53
MMP1 P03956 3/20 0.53
MMP14 P50281 3/20 0.53
ADAMTS4 O75173 2/20 0.53
MMP3 P08254 2/20 0.53
MMP7 P09237 2/20 0.53
MMP8 P22894 2/20 0.53
MCL1 Q07820 2/20 0.47
EDNRA P25101 2/20 0.46
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GPR35 Q9HC97 1/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMO O15229 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
SCHEMBL3618501 0.84 RAB9A (0.53) MMP2MMP13MMP1MMP14ADAMTS4
SCHEMBL3613925 0.84 EDNRA (0.56) MMP2MMP13MMP1MMP14ADAMTS4
SCHEMBL3609302 0.83 EDNRA (0.46) MMP2MMP13MMP1MMP14ADAMTS4
SCHEMBL3614759 0.82 MMP2 (0.54) MMP2MMP13MMP1MMP14ADAMTS4
SCHEMBL27593840 0.76 MCL1 (0.54) MCL1EDNRAKDM4EALDH1A1MEN1
SCHEMBL3618298 0.74 EDNRA (0.71) MMP2MMP13MCL1EDNRAKDM4E
SCHEMBL9432874 0.72 MCL1 (0.61) MCL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3613923 0.72 EDNRA (0.59) MMP2MMP13MMP1MMP14ADAMTS4
SCHEMBL3609152 0.71 EDNRA (0.55) MMP2MMP13MMP1MMP14ADAMTS4
SCHEMBL27590200 0.71 EDNRA (0.62) MCL1EDNRAKDM4EALDH1A1MEN1

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-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
CN-1623537-A Biaryl sulfonamides and its using method WYETH CORP (US) 2005-06-08 CN 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 13/4885MMP1 42/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC MMP2 5/4885MMP13 13/4885MMP1 42/4885

“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.