SCHEMBL10240910

SCHEMBL10240910

Cc1ccccc1C(C/C(=N\O)c1ccncc1)c1cccc(-c2cccc(S(C)(=O)=O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.50
CTSA P10619 9/20 0.39
LRRK2 Q5S007 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35

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
SCHEMBL1389612 1.00 GPBAR1 (0.50) GPBAR1CTSALRRK2ALDH1A1GAA
SCHEMBL361789 1.00 GPBAR1 (0.50) GPBAR1CTSALRRK2ALDH1A1GAA
SCHEMBL10240885 0.93 GPBAR1 (0.54) GPBAR1CTSA
SCHEMBL363140 0.93 GPBAR1 (0.54) GPBAR1CTSA
SCHEMBL363141 0.93 GPBAR1 (0.54) GPBAR1CTSA
SCHEMBL10240923 0.93 GPBAR1 (0.58) GPBAR1CTSALRRK2CSNK2A2CSNK2B
SCHEMBL364300 0.93 GPBAR1 (0.58) GPBAR1CTSALRRK2CSNK2A2CSNK2B
SCHEMBL364299 0.93 GPBAR1 (0.58) GPBAR1CTSALRRK2CSNK2A2CSNK2B
SCHEMBL369007 0.91 GPBAR1 (0.55) GPBAR1CTSALRRK2ALDH1A1GAA
SCHEMBL364283 0.91 GPBAR1 (0.55) GPBAR1CTSALRRK2ALDH1A1GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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 (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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885CTSA 3225/4885LRRK2 3207/4885

“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.