SCHEMBL368644

SCHEMBL368644

CS(=O)(=O)c1cccc(-c2ccc(C(C/C(=N/O)c3ccncc3)c3ccccc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.56
CYP17A1 P05093 1/20 0.41
NR1H2 P55055 4/20 0.39
CTSS P25774 3/20 0.38
CTSK P43235 3/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
LRRK2 Q5S007 1/20 0.38
LARS1 Q9P2J5 1/20 0.38
RORC P51449 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
ALOX5 P09917 1/20 0.37
NR1H3 Q13133 2/20 0.37
FFAR1 O14842 1/20 0.36

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
SCHEMBL368645 1.00 GPBAR1 (0.56) GPBAR1CYP17A1NR1H2CTSSCTSK
SCHEMBL362212 1.00 GPBAR1 (0.56) GPBAR1CYP17A1NR1H2CTSSCTSK
SCHEMBL369008 0.95 GPBAR1 (0.55) GPBAR1NR1H2CTSSCTSKCTSL
SCHEMBL364283 0.95 GPBAR1 (0.55) GPBAR1NR1H2CTSSCTSKCTSL
SCHEMBL369007 0.95 GPBAR1 (0.55) GPBAR1NR1H2CTSSCTSKCTSL
SCHEMBL368302 0.92 GPBAR1 (0.54) GPBAR1CYP17A1CTSSCTSKCTSL
SCHEMBL368303 0.92 GPBAR1 (0.54) GPBAR1CYP17A1CTSSCTSKCTSL
SCHEMBL362754 0.92 GPBAR1 (0.54) GPBAR1CYP17A1CTSSCTSKCTSL
SCHEMBL10240923 0.91 GPBAR1 (0.58) GPBAR1CYP17A1NR1H2CTSSCTSK
SCHEMBL364299 0.91 GPBAR1 (0.58) GPBAR1CYP17A1NR1H2CTSSCTSK

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 claimed
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
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP 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

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 1/4885CYP17A1 1253/4885NR1H2 373/4885

“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.