SCHEMBL5111059

SCHEMBL5111059

COC(=O)[C@@H](N)Cc1cccc(Oc2ccc3ccccc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.50
PPARA Q07869 4/20 0.50
PPARD Q03181 2/20 0.50
RECQL P46063 1/20 0.45
SLC7A5 Q01650 2/20 0.45
FAAH O00519 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
LTA4H P09960 1/20 0.43
TACR1 P25103 1/20 0.43
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL5111057 0.99 PPARG (0.49) PPARGPPARAPPARDRECQLSLC7A5
SCHEMBL27624481 0.90 SLC7A5 (0.52) PPARGPPARASLC7A5TAAR1LTA4H
SCHEMBL5110394 0.86 SLC7A5 (0.55) PPARGPPARASLC7A5
SCHEMBL30381210 0.86 SLC7A5 (0.55) PPARGPPARASLC7A5
SCHEMBL237566 0.85 HTR2A (0.57) PPARGPPARAPPARDHTR2AHTR2C
SCHEMBL4633497 0.85 HTR2A (0.57) PPARGPPARAPPARDHTR2AHTR2C
SCHEMBL5845125 0.85 HTR2A (0.57) PPARGPPARAPPARDHTR2AHTR2C
Hydrochloric Acid SCHEMBL237565 0.84 HTR2A (0.55) PPARGPPARAPPARDHTR2AHTR2C
Hydrochloric Acid SCHEMBL4633494 0.84 HTR2A (0.55) PPARGPPARAPPARDHTR2AHTR2C
Hydrochloric Acid SCHEMBL2896538 0.84 HTR2A (0.55) PPARGPPARAPPARDHTR2AHTR2C

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
EP-1481965-B1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS ENDO HITOSHI (JP) 2015-07-29 EP disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 US disclosed
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions HITOSHI ENDOU (JP) 2005-06-02 US disclosed
EP-1481965-A1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS Endo, Hitoshi (JP) 2004-12-01 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-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 PPARG 543/4885PPARA 727/4885PPARD 1868/4885

“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.