SCHEMBL741450

SCHEMBL741450

C[C@H](c1ccccc1)N1C(=O)C(CCO)[C@](C)(C(=O)O)C1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.34
RIPK1 Q13546 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
HSD11B1 P28845 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL741115 0.83 CHRM2 (0.32) KMT2AMAPT
SCHEMBL3974990 0.82 KMT2A (0.36) KCNA5RIPK1KMT2AALDH1A1HPGD
SCHEMBL3977729 0.82 KMT2A (0.36) KCNA5RIPK1KMT2AALDH1A1HPGD
SCHEMBL3976001 0.82 CYP3A4 (0.34) KCNA5KMT2AALDH1A1HPGDCYP3A4
SCHEMBL3976510 0.81 KMT2A (0.35) KCNA5RIPK1KMT2AALDH1A1HPGD
SCHEMBL2242527 0.81 KCNA5 (0.31) KCNA5
SCHEMBL740950 0.75 KCNA5 (0.31) KCNA5KMT2A
SCHEMBL3977158 0.74 KCNA5 (0.37) KCNA5RIPK1KMT2AALDH1A1HPGD
SCHEMBL3975008 0.72 KCNA5 (0.37) KCNA5RIPK1KMT2AALDH1A1HPGD
SCHEMBL3984098 0.72 KCNA5 (0.37) KCNA5RIPK1KMT2AALDH1A1HPGD

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
US-8138352-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-20 US disclosed
US-8003666-B2 Hydrate for medical purposes DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-06-16 US disclosed
US-7928232-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-19 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-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, NQO2, COASY KCNA5 1371/4885RIPK1 1167/4885KMT2A 2544/4885

“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.