SCHEMBL4630103

SCHEMBL4630103

CC(=O)N[C@H](CC(=O)O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CTSA P10619 6/20 0.49
FFAR1 O14842 1/20 0.47
ITGB3 P05106 2/20 0.46
ITGAV P06756 2/20 0.46
ITGA2B P08514 1/20 0.46
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP26A1 O43174 1/20 0.44
EEF2K O00418 1/20 0.43
ITGB5 P18084 1/20 0.43
ITGB6 P18564 1/20 0.43
ITGB8 P26012 1/20 0.43

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
SCHEMBL4630107 1.00 PRNP (0.51) PRNPNPSR1RXFP1CTSAFFAR1
SCHEMBL6859119 0.85 SMN1; SMN2 (0.53) PRNPNPSR1RXFP1CTSAFFAR1
SCHEMBL3781378 0.85 KMT2A (0.47) KMT2ACYP26A1
SCHEMBL15654637 0.85 CYP26A1 (0.58) CTSAPOLBCYP26A1
SCHEMBL2851129 0.84 KMT2A (0.58) KMT2AMAPK1CYP26A1
SCHEMBL3375103 0.84 KMT2A (0.58) KMT2AMAPK1CYP26A1
SCHEMBL640977 0.84 KMT2A (0.58) KMT2AMAPK1CYP26A1
SCHEMBL15655244 0.83 CYP26A1 (0.58) CTSAFFAR1KMT2ACYP26A1
SCHEMBL4011433 0.81 CYP26A1 (0.58) CTSAITGB3ITGAVITGA2BKMT2A
SCHEMBL6351508 0.81 PRNP (0.52) PRNPNPSR1RXFP1CTSAITGB3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694630-B1 METHOD FOR PRODUCING CHIRAL OR ENANTIOMER-ENRICHED BETA-AMINO ACIDS, -ALDEHYDES, -KETONES AND GAMMA-AMINO ALCOHOLS DSM FINE CHEM AUSTRIA GMBH (AT) 2008-05-07 EP disclosed
US-20070123589-A1 Method for producing chiral or enantiomer-enriched beta-amino acids, aldehydes, ketones and gama-amino alcohols DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-05-31 US disclosed
EP-1694630-A1 IMPROVED METHOD FOR PRODUCING CHIRAL OR ENANTIOMER-ENRICHED BETA-AMINO ACIDS, -ALDEHYDES, -KETONES AND GAMMA-AMINO ALCOHOLS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2006-08-30 EP disclosed
WO-2005063682-A1 IMPROVED METHOD FOR PRODUCING CHIRAL OR ENANTIOMER-ENRICHED BETA-AMINO ACIDS, -ALDEHYDES, -KETONES AND GAMMA-AMINO ALCOHOLS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-07-14 WO 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-20070123589-A1 Method for producing chiral or enantiomer-enriched beta-amino acids, aldehydes, ketones and gama-amino alcohols GLRA1, GLRB, GLRA2 PRNP 3963/4885NPSR1 1462/4885RXFP1 2204/4885

“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.