SCHEMBL10240923

SCHEMBL10240923

Cc1ccccc1C(C/C(=N\O)c1ccncc1)c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.58
CYP17A1 P05093 1/20 0.38
LRRK2 Q5S007 2/20 0.38
NR1H2 P55055 3/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSA P10619 3/20 0.35
LARS1 Q9P2J5 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
ALOX5 P09917 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34

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
SCHEMBL364300 1.00 GPBAR1 (0.58) GPBAR1CYP17A1LRRK2NR1H2CTSL
SCHEMBL364299 1.00 GPBAR1 (0.58) GPBAR1CYP17A1LRRK2NR1H2CTSL
SCHEMBL10240910 0.93 GPBAR1 (0.50) GPBAR1LRRK2CTSACSNK2A2CSNK2B
SCHEMBL1389612 0.93 GPBAR1 (0.50) GPBAR1LRRK2CTSACSNK2A2CSNK2B
SCHEMBL361789 0.93 GPBAR1 (0.50) GPBAR1LRRK2CTSACSNK2A2CSNK2B
SCHEMBL364568 0.91 GPBAR1 (0.61) GPBAR1CTSLCTSBCTSA
SCHEMBL364567 0.91 GPBAR1 (0.61) GPBAR1CTSLCTSBCTSA
SCHEMBL10240891 0.91 GPBAR1 (0.61) GPBAR1CTSLCTSBCTSA
SCHEMBL362212 0.91 GPBAR1 (0.56) GPBAR1CYP17A1LRRK2NR1H2CTSL
SCHEMBL368645 0.91 GPBAR1 (0.56) GPBAR1CYP17A1LRRK2NR1H2CTSL

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 1/4885CYP17A1 1253/4885LRRK2 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.