SCHEMBL368098

SCHEMBL368098

Cn1cc(C(=O)CC(c2ccc(C(=O)NCCO)cc2)c2ccc(Cl)cc2F)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCG P01275 2/20 0.39
MAP2K2 P36507 1/20 0.37
MAP2K1 Q02750 1/20 0.37
MMP10 P09238 1/20 0.36
MMP13 P45452 1/20 0.36
ANPEP P15144 1/20 0.36
SNCA P37840 1/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
S1PR3 Q99500 3/20 0.35
S1PR1 P21453 1/20 0.35
GCGR P47871 3/20 0.35
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 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
SCHEMBL369530 0.91 CREBBP (0.37) GCGMAP2K2MAP2K1SNCAHPGD
SCHEMBL368555 0.90 GCG (0.37) GCGMMP13HPGDHSD17B10POLB
SCHEMBL1390081 0.90 GCG (0.37) GCGMAP2K2MAP2K1MMP10MMP13
SCHEMBL1390082 0.90 GCG (0.37) GCGMAP2K2MAP2K1MMP10MMP13
SCHEMBL369981 0.90 EPHX2 (0.38) GCGSNCAS1PR3S1PR1GCGR
SCHEMBL1390322 0.89 MAPK14 (0.36) GCGS1PR3S1PR1MDM2
SCHEMBL368689 0.89 MAPK14 (0.36) GCGS1PR3S1PR1MDM2
SCHEMBL369536 0.87 POLB (0.38) POLBS1PR3S1PR1MDM2
SCHEMBL369928 0.86 CYP2C9 (0.39) POLBS1PR3S1PR1MDM2
SCHEMBL1390467 0.86 POLB (0.37) HPGDPOLBS1PR3S1PR1MDM2

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 GCG 347/4885MAP2K2 4635/4885MAP2K1 4690/4885

“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.