SCHEMBL363662

SCHEMBL363662

Cc1cc(C(=O)CC(c2ccc(C(F)(F)F)cc2)c2ccc(F)cc2F)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.53
EPHX2 P34913 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
SORT1 Q99523 1/20 0.36
PDPK1 O15530 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
FFAR1 O14842 3/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
PDE2A O00408 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
CYP2D6 P10635 2/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 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
SCHEMBL364319 0.89 GPBAR1 (0.55) GPBAR1PTGDR2KDM5AKDM4C
SCHEMBL15949078 0.88 GPBAR1 (0.54) GPBAR1PTGDR2SORT1
SCHEMBL362478 0.88 GPBAR1 (0.54) GPBAR1PTGDR2SORT1
SCHEMBL1389717 0.86 GPBAR1 (0.65) GPBAR1EPHX2PTGDR2SORT1CYP1A1
SCHEMBL1389722 0.86 GPBAR1 (0.65) GPBAR1EPHX2PTGDR2SORT1CYP1A1
SCHEMBL1389719 0.86 GPBAR1 (0.65) GPBAR1EPHX2PTGDR2SORT1CYP1A1
SCHEMBL363810 0.85 GPBAR1 (0.52) GPBAR1EPHX2KDM5AKDM4C
SCHEMBL363755 0.83 GPBAR1 (0.53) GPBAR1
SCHEMBL363953 0.79 GPBAR1 (0.46) GPBAR1PTGDR2KDM5AKDM4C
SCHEMBL15949038 0.79 GPBAR1 (0.55) GPBAR1

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 1/4885EPHX2 1909/4885PTGDR2 71/4885

“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.