SCHEMBL362799

SCHEMBL362799

Cc1cc(C(=O)C[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.50
CTSA P10619 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 3/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOTUM Q6P988 3/20 0.37
CYP2C19 P33261 1/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
NR3C2 P08235 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 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
SCHEMBL362197 1.00 GPBAR1 (0.50) GPBAR1CTSAMEN1KMT2AKDM4E
SCHEMBL362161 1.00 GPBAR1 (0.50) GPBAR1CTSAMEN1KMT2AKDM4E
SCHEMBL1390499 0.93 GPBAR1 (0.49) GPBAR1CTSANPSR1CYP2C19ITGB2
SCHEMBL1390501 0.93 GPBAR1 (0.49) GPBAR1CTSANPSR1CYP2C19ITGB2
SCHEMBL15949056 0.92 GPBAR1 (0.51) GPBAR1CTSAMEN1KMT2AHPGD
SCHEMBL15949057 0.92 GPBAR1 (0.51) GPBAR1CTSAMEN1KMT2AHPGD
SCHEMBL364216 0.91 GPBAR1 (0.52) GPBAR1CTSAMEN1KMT2AHPGD
SCHEMBL364119 0.91 GPBAR1 (0.49) GPBAR1MEN1KMT2AKDM4ENPSR1
SCHEMBL1390347 0.90 GPBAR1 (0.49) GPBAR1CTSAMEN1KMT2AHPGD
SCHEMBL1390348 0.90 GPBAR1 (0.49) GPBAR1CTSAMEN1KMT2AHPGD

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 GPBAR1 1/4885CTSA 3225/4885MEN1 1315/4885

“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.