SCHEMBL10240891

SCHEMBL10240891

Cc1ccccc1C(C/C(=N\O)c1ccncc1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.61
PTGS2 P35354 3/20 0.36
EPHX2 P34913 1/20 0.35
CTSA P10619 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSF Q9UBX1 1/20 0.33
PTGS1 P23219 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL364568 1.00 GPBAR1 (0.61) GPBAR1PTGS2EPHX2CTSACTSL
SCHEMBL364567 1.00 GPBAR1 (0.61) GPBAR1PTGS2EPHX2CTSACTSL
SCHEMBL363141 0.91 GPBAR1 (0.54) GPBAR1PTGS2CTSA
SCHEMBL364299 0.91 GPBAR1 (0.58) GPBAR1CTSACTSLCTSB
SCHEMBL363140 0.91 GPBAR1 (0.54) GPBAR1PTGS2CTSA
SCHEMBL10240923 0.91 GPBAR1 (0.58) GPBAR1CTSACTSLCTSB
SCHEMBL10240885 0.91 GPBAR1 (0.54) GPBAR1PTGS2CTSA
SCHEMBL364300 0.91 GPBAR1 (0.58) GPBAR1CTSACTSLCTSB
SCHEMBL370416 0.90 GPBAR1 (0.62) GPBAR1PTGS2EPHX2PTGS1CA12
SCHEMBL370417 0.90 GPBAR1 (0.62) GPBAR1PTGS2EPHX2PTGS1CA12

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
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 1/4885PTGS2 259/4885EPHX2 1909/4885

“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.