SCHEMBL5845490

SCHEMBL5845490

CS(=O)(=O)OC(=O)C[C@H](N)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN4A P35499 5/20 0.39
ALDH1A1 P00352 2/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KCNA5 P22460 1/20 0.37

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
SCHEMBL5846643 1.00 GBA1 (0.41) GBA1KMT2ASMN1; SMN2SCN4AALDH1A1
SCHEMBL1144253 0.84 KCNA5 (0.49) GBA1KMT2AALDH1A1CA12CA7
SCHEMBL4591411 0.84 KCNA5 (0.49) GBA1KMT2AALDH1A1CA12CA7
SCHEMBL1144053 0.80 ALDH1A1 (0.46) GBA1KMT2ASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL1144412 0.80 ALDH1A1 (0.51) KMT2ASMN1; SMN2ALDH1A1CA12CA7
SCHEMBL167043 0.80 ALDH1A1 (0.51) KMT2ASMN1; SMN2ALDH1A1CA12CA7
SCHEMBL476790 0.80 ALDH1A1 (0.51) KMT2ASMN1; SMN2ALDH1A1CA12CA7
SCHEMBL1894928 0.79 TDP1 (0.41) KMT2ACYP2C19LMNA
SCHEMBL5845485 0.78 KMT2A (0.49) GBA1KMT2ASMN1; SMN2ALDH1A1GABBR2
SCHEMBL5846637 0.78 KMT2A (0.49) GBA1KMT2ASMN1; SMN2ALDH1A1GABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015348-B2 Method for producing an optically active β-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-21 US claimed
EP-1386901-B1 Method for producing an optically active beta-amino acid TAKASAGO PERFUMERY CO LTD (JP) 2015-07-01 EP disclosed
US-20060122418-A1 Method for producing an optically active beta-amino acid MATSUMURA KAZUHIKO 2006-06-08 US disclosed
US-7015348-B2 Method for producing an optically active β-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-21 US disclosed
US-20040023344-A1 Method for producing an optically activ beta-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-02-05 US disclosed
EP-1386901-A1 Method for producing an optically active beta-amino acid Takasago International Corporation (JP) 2004-02-04 EP 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-20060122418-A1 Method for producing an optically active beta-amino acid AADAT, DAO, BCAT2 GBA1 561/4885KMT2A 2862/4885SMN1; SMN2 3286/4885

“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.