SCHEMBL3616609

SCHEMBL3616609

COc1ccc2c(C(=O)O)occ2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 7/20 0.54
HPGD P15428 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA3 P07451 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
NR4A2 P43354 1/20 0.45
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
AKR1C3 P42330 4/20 0.44
AKR1C2 P52895 4/20 0.44
PTGS1 P23219 3/20 0.44

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
SCHEMBL11464784 0.88 NR4A2 (0.51) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL11684807 0.87 ALDH1A1 (0.51) KDM4EALDH1A1HPGDSMN1; SMN2AKR1C3
SCHEMBL7297080 0.87 NR4A2 (0.53) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL1511820 0.81 KDM4E (0.51) KDM4EALDH1A1HPGDCA2CA12
SCHEMBL8315786 0.79 ALDH1A1 (0.45) KDM4EALDH1A1HPGDCA2SMN1; SMN2
SCHEMBL11464990 0.77 HSD17B10 (0.51) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL11467849 0.75 KDM4E (0.47) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL11683585 0.75 MAOB (0.58) ALDH1A1SMN1; SMN2TSHRRAB9AKMT2A
SCHEMBL6608929 0.75 MCL1 (0.49) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL7633234 0.75 PIM1 (0.45) KDM4EALDH1A1HPGDHSD17B10POLB

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 10 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
US-5464856-A Arylmethylenyl derivatives of imidazolidinones useful as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1995-11-07 US disclosed
US-5306822-A Mono-, di- or tri-methoxyphenylmethylene-2-thioxo-4-oxazolidinone as antihistamines WARNER-LAMBERT COMPANY (US) 1994-04-26 US disclosed
US-5208250-A Known and selected novel arylmethylenyl derivatives of thiazolidinones, imidazolidinones and oxazolidinones useful as antiallergy agents and anti-inflammatory agents WARNER-LAMBERT COMPANY (US) 1993-05-04 US disclosed
EP-0343643-A2 Arylmethylenyl derivatives of thiazolidnones, imidazolidinones and oxazolidinones useful as antiallergy agents and antiinflamatory agents WARNER-LAMBERT COMPANY (US) 1989-11-29 EP 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 KDM4E 1421/4885ALDH1A1 634/4885HPGD 1110/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC KDM4E 1421/4885ALDH1A1 634/4885HPGD 1110/4885

“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.