SCHEMBL3612955

SCHEMBL3612955

CCc1ccc(O)c(C(=O)CO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
KLKB1 P03952 1/20 0.47
CTSB P07858 1/20 0.47
MMP9 P14780 1/20 0.47
DNMT1 P26358 1/20 0.47
DNMT3B Q9UBC3 1/20 0.47
DNMT3L Q9UJW3 1/20 0.47
DNMT3A Q9Y6K1 1/20 0.47
KAT8 Q9H7Z6 2/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LCK P06239 1/20 0.43
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL11062512 0.87 TRPA1 (0.55) TRPA1KLKB1CTSBMMP9DNMT1
SCHEMBL9739921 0.86 CNR1 (0.55) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL3234517 0.84 TRPA1 (0.52) TRPA1KLKB1CTSBMMP9DNMT1
SCHEMBL418713 0.81 KLKB1 (0.71) TRPA1KLKB1CTSBMMP9DNMT1
SCHEMBL925372 0.81 TRPA1 (0.57) TRPA1KLKB1CTSBMMP9DNMT1
SCHEMBL1913451 0.79 TRPA1 (0.55) TRPA1KLKB1CTSBMMP9DNMT1
SCHEMBL11631746 0.79 TRPA1 (0.55) TRPA1KLKB1CTSBMMP9DNMT1
SCHEMBL646876 0.78 CA12 (0.65) TRPA1KLKB1CTSBMMP9DNMT1
SCHEMBL9740664 0.77 XDH (0.58) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL5991619 0.76 TRPA1 (0.52) TRPA1KLKB1CTSBMMP9DNMT1

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 TRPA1 4164/4885KLKB1 1696/4885CTSB 114/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC TRPA1 4164/4885KLKB1 1696/4885CTSB 114/4885

“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.