SCHEMBL1390002

SCHEMBL1390002

Cc1cc(/C(C[C@H](c2ccc(N3C[C@@H]4C(C(=O)O)[C@@H]4C3)cc2)c2ccc(F)cc2F)=N/O)ccn1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.76
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
GPR6 P46095 3/20 0.32
MAPK1 P28482 1/20 0.30
ACACB O00763 2/20 0.30

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
SCHEMBL1390399 1.00 GPBAR1 (0.76) GPBAR1KEAP1NFE2L2KDM5AKDM4C
SCHEMBL1390005 1.00 GPBAR1 (0.76) GPBAR1KEAP1NFE2L2KDM5AKDM4C
SCHEMBL1390400 1.00 GPBAR1 (0.76) GPBAR1KEAP1NFE2L2KDM5AKDM4C
SCHEMBL1390006 1.00 GPBAR1 (0.76) GPBAR1KEAP1NFE2L2KDM5AKDM4C
SCHEMBL1390448 0.92 GPBAR1 (0.64) GPBAR1KEAP1NFE2L2KDM5AKDM4C
SCHEMBL1390449 0.92 GPBAR1 (0.64) GPBAR1KEAP1NFE2L2KDM5AKDM4C
SCHEMBL15949320 0.90 GPBAR1 (0.64) GPBAR1KEAP1NFE2L2KDM5AKDM4C
SCHEMBL365323 0.89 GPBAR1 (0.69) GPBAR1GPR6
SCHEMBL1389810 0.89 GPBAR1 (0.69) GPBAR1GPR6
SCHEMBL1389807 0.89 GPBAR1 (0.69) GPBAR1GPR6

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 11 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
US-20220016136-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LIVER DISORDERS VIKING THERAPEUTICS, INC. 2022-01-20 US disclosed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
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-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
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 (2 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-20220016136-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LIVER DISORDERS FABP1, SLC10A1, TSHR GPBAR1 15/4885KEAP1 2083/4885NFE2L2 1541/4885
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885KEAP1 1693/4885NFE2L2 488/4885

“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.