SCHEMBL10241016

SCHEMBL10241016

Cc1cc(/C(CC(c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)c2ccccc2C)=N/O)ccn1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.67
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
CTSA P10619 4/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MAP4K4 O95819 1/20 0.35
TGFBR1 P36897 1/20 0.35
MAPK14 Q16539 1/20 0.35
PTGS2 P35354 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
SCHEMBL1389740 1.00 GPBAR1 (0.67) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL1389741 1.00 GPBAR1 (0.67) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL370209 0.93 GPBAR1 (0.61) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL363141 0.91 GPBAR1 (0.54) GPBAR1CTSACTSSCTSKPTGS2
SCHEMBL363140 0.91 GPBAR1 (0.54) GPBAR1CTSACTSSCTSKPTGS2
SCHEMBL10240885 0.91 GPBAR1 (0.54) GPBAR1CTSACTSSCTSKPTGS2
SCHEMBL1390220 0.90 GPBAR1 (0.65) GPBAR1CTSA
SCHEMBL1390218 0.90 GPBAR1 (0.65) GPBAR1CTSA
SCHEMBL364730 0.90 GPBAR1 (0.65) GPBAR1CTSA
SCHEMBL1389904 0.90 GPBAR1 (0.72) GPBAR1CTSA

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
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
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 1/4885PSEN1 663/4885PSEN2 1754/4885

“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.