SCHEMBL5454418

SCHEMBL5454418

COc1cc(C[C@H](N)C(=O)O)c(F)cc1NC(=O)c1cn(C)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.45
ITGA4 P13612 4/20 0.45
S1PR2 O95136 1/20 0.45
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
BRD4 O60885 1/20 0.42
BRPF1 P55201 1/20 0.42
NR4A2 P43354 1/20 0.42
ALDH1A1 P00352 4/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.40
EP300 Q09472 1/20 0.40
CREBBP Q92793 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL5708335 0.87 ITGB1 (0.53) ITGB1ITGA4MAPTALDH1A1RECQL
SCHEMBL2429778 0.86 ITGB1 (0.51) ITGB1ITGA4S1PR2MAPTPOLB
SCHEMBL92337 0.81 BRPF1 (0.50) S1PR2MAPTPOLBBRD4BRPF1
SCHEMBL2429782 0.76 MEN1 (0.48) ITGB1ITGA4S1PR2MAPTPOLB
SCHEMBL2435704 0.75 ITGB1 (0.51) ITGB1ITGA4MAPTPOLBNR4A2
SCHEMBL5457279 0.75 ITGB1 (0.49) ITGB1ITGA4MAPTPOLBALDH1A1
SCHEMBL92336 0.74 MEN1 (0.55) S1PR2MAPTPOLBBRD4BRPF1
SCHEMBL91559 0.73 ITGB1 (0.49) ITGB1ITGA4MAPTPOLBNR4A2
SCHEMBL72352 0.73 POLB (0.61) ITGB1ITGA4S1PR2MAPTPOLB
SCHEMBL14591773 0.73 POLB (0.58) ITGB1ITGA4S1PR2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 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-20070149606-A1 Process for producing phenylacetic acid derivative UGT1A4, VPS4B, CYP3A4 ITGB1 1987/4885ITGA4 106/4885S1PR2 3875/4885

“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.