SCHEMBL1389608

SCHEMBL1389608

Cc1cc(C(CC(c2ccc(N3CCC(CO)CC3)cc2)c2ccccc2C)=NO)ccn1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.61
CTSA P10619 1/20 0.35
RORC P51449 1/20 0.34
USP1 O94782 1/20 0.34
WDR48 Q8TAF3 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
LRRK2 Q5S007 1/20 0.33
ITGB3 P05106 3/20 0.33
ITGB1 P05556 3/20 0.33
ITGAV P06756 3/20 0.33
ITGA5 P08648 3/20 0.33
ITGB5 P18084 3/20 0.33
ITGA2B P08514 2/20 0.33
HIF1A Q16665 1/20 0.32
PDE10A Q9Y233 2/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL1389605 1.00 GPBAR1 (0.61) GPBAR1CTSARORCUSP1WDR48
SCHEMBL1389607 1.00 GPBAR1 (0.61) GPBAR1CTSARORCUSP1WDR48
SCHEMBL1389610 1.00 GPBAR1 (0.61) GPBAR1CTSARORCUSP1WDR48
SCHEMBL1390061 0.91 GPBAR1 (0.63) GPBAR1CTSARORCUSP1WDR48
SCHEMBL1390059 0.91 GPBAR1 (0.63) GPBAR1CTSARORCUSP1WDR48
SCHEMBL1390065 0.91 GPBAR1 (0.63) GPBAR1CTSARORCUSP1WDR48
SCHEMBL1390062 0.91 GPBAR1 (0.63) GPBAR1CTSARORCUSP1WDR48
SCHEMBL1389955 0.89 GPBAR1 (0.65) GPBAR1CTSAITGB2ICAM1ITGAL
SCHEMBL1389953 0.89 GPBAR1 (0.65) GPBAR1CTSAITGB2ICAM1ITGAL
SCHEMBL1389739 0.89 GPBAR1 (0.65) GPBAR1CTSAITGB2ICAM1ITGAL

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 4 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
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 3225/4885RORC 2041/4885

“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.