SCHEMBL741115

SCHEMBL741115

C[C@H](c1ccccc1)N1C(=O)C(CCOS(=O)(=O)c2ccccc2)[C@](C)(C(=O)O)C1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ELANE P08246 1/20 0.31
CTSK P43235 1/20 0.31
MAPT P10636 1/20 0.30
BACE1 P56817 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL3976130 0.85 CTSK (0.37) CHRM2CHRM1CTSKMAPT
SCHEMBL741450 0.83 KCNA5 (0.34) MAPTKMT2A
SCHEMBL2761682 0.77 KMT2A (0.37) CHRM2CHRM1CTSKMAPTKMT2A
SCHEMBL3977729 0.75 KMT2A (0.36) MAPTKMT2A
SCHEMBL3974990 0.75 KMT2A (0.36) MAPTKMT2A
SCHEMBL2243926 0.74 KMT2A (0.35) CHRM2CHRM1ELANECTSKKMT2A
SCHEMBL3976510 0.74 KMT2A (0.35) MAPTKMT2A
SCHEMBL2242527 0.74 KCNA5 (0.31)
SCHEMBL10306152 0.69 GAA (0.39) KMT2A
SCHEMBL740950 0.69 KCNA5 (0.31) KMT2A

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 CHRM2 3958/4885CHRM1 3973/4885ELANE 4244/4885

“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.