SCHEMBL2298614

SCHEMBL2298614

O=S(=O)(O)C=Cc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
CYP2C9 P11712 3/20 0.52
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA3 P07451 3/20 0.52
CA4 P22748 3/20 0.52
CA6 P23280 3/20 0.52
CA5A P35218 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
CA5B Q9Y2D0 3/20 0.52
MAOB P27338 3/20 0.52
TYR P14679 3/20 0.52
LMNA P02545 3/20 0.52
AKR1B1 P15121 3/20 0.52

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
SCHEMBL2298611 1.00 APP (0.52) APPKDM4EALDH1A1MAPTCYP2C9
SCHEMBL4375359 0.84 APP (0.54) APPKDM4EALDH1A1MAPTCYP2C9
SCHEMBL28760348 0.84 CA12 (0.40) CA12CA1CA9LMNATDP1
SCHEMBL10369661 0.80 CA2 (0.50) APPKDM4EALDH1A1MAPTCYP2C9
SCHEMBL31051124 0.80 APP (0.50) APPKDM4EALDH1A1MAPTCYP2C9
SCHEMBL10369660 0.80 CA2 (0.50) APPKDM4EALDH1A1MAPTCYP2C9
SCHEMBL2453590 0.80 CYP19A1 (0.50) APPALDH1A1MAPTCYP2C9CA12
SCHEMBL7053665 0.80 CA12 (0.38) APPKDM4EALDH1A1MAPTCYP2C9
SCHEMBL14297485 0.80 LMNA (0.53) ALDH1A1MAPTCA1CA2MAOB
SCHEMBL2173890 0.80 LMNA (0.53) ALDH1A1MAPTCA1CA2MAOB

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
CN-102883602-B Method for reducing virulence of bacteria UWM研究基金会有限公司 2017-07-18 CN disclosed
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 US disclosed
CN-102883602-A Method for reducing virulence of bacteria UWM RES FOUNDATION INC 2013-01-16 CN disclosed
EP-2536275-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA UWM Research Foundation, Inc. (US) 2012-12-26 EP disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 US disclosed
WO-2011103189-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA UWM RESEARCH FOUNDATION, INC. (US) 2011-08-25 WO 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 (1 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-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA PGLS, RRS1, MRPL21 APP 4873/4885KDM4E 4188/4885ALDH1A1 4049/4885

“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.