SCHEMBL363673

SCHEMBL363673

Cc1cc(C(=O)C[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)c2ccc(Cl)cc2C)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 4/20 0.42
NOTUM Q6P988 4/20 0.40
AKR1C3 P42330 1/20 0.39
FFAR1 O14842 1/20 0.39
GPBAR1 Q8TDU6 4/20 0.39
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL365008 1.00 PROKR1 (0.42) PROKR1NOTUMAKR1C3FFAR1GPBAR1
SCHEMBL364126 0.91 ALDH1A1 (0.45) PROKR1F10MEN1KMT2AMAPT
SCHEMBL365984 0.91 ALDH1A1 (0.45) PROKR1F10MEN1KMT2AMAPT
SCHEMBL364374 0.90 GPBAR1 (0.51) PROKR1NOTUMAKR1C3FFAR1GPBAR1
SCHEMBL1389686 0.90 GPBAR1 (0.51) PROKR1NOTUMAKR1C3FFAR1GPBAR1
SCHEMBL362698 0.90 GPBAR1 (0.51) PROKR1NOTUMAKR1C3FFAR1GPBAR1
SCHEMBL1390284 0.90 GPBAR1 (0.51) PROKR1NOTUMAKR1C3FFAR1GPBAR1
SCHEMBL362197 0.89 GPBAR1 (0.50) NOTUMGPBAR1MEN1KMT2AKDM4E
SCHEMBL362799 0.89 GPBAR1 (0.50) NOTUMGPBAR1MEN1KMT2AKDM4E
SCHEMBL362161 0.89 GPBAR1 (0.50) NOTUMGPBAR1MEN1KMT2AKDM4E

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
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 PROKR1 242/4885NOTUM 3796/4885AKR1C3 225/4885

“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.