SCHEMBL1144374

SCHEMBL1144374

COC(=O)/C=C(/N)c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
RAB9A P51151 5/20 0.47
HDAC1 Q13547 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KMT2A Q03164 6/20 0.44
NPC1 O15118 4/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DAO P14920 1/20 0.44
APLNR P35414 1/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL1144375 1.00 TSHR (0.61) TSHRRAB9AHDAC1CES2CES1
SCHEMBL21365979 0.83 ALDH1A1 (0.45) TSHRRAB9ACES2CES1KMT2A
SCHEMBL6630778 0.83 ALDH1A1 (0.45) TSHRRAB9ACES2CES1KMT2A
SCHEMBL7902858 0.83 ALDH1A1 (0.45) TSHRRAB9ACES2CES1KMT2A
SCHEMBL9709665 0.81 TSHR (0.68) TSHRRAB9AHDAC1CES2CES1
SCHEMBL9709670 0.81 TSHR (0.68) TSHRRAB9AHDAC1CES2CES1
SCHEMBL497126 0.72
SCHEMBL28738208 0.72 KMT2A (0.67) TSHRRAB9AHDAC1CES2CES1
SCHEMBL12849961 0.72
SCHEMBL10344990 0.72 HDAC1 (0.62) TSHRRAB9AHDAC1KMT2ANPC1

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 7 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-7893296-B2 Method for producing an optically active β-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-22 US 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 TSHR 2633/4885RAB9A 1112/4885HDAC1 4264/4885

“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.