SCHEMBL4332540

SCHEMBL4332540

C[C@@](N)(CCOc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.56
ALDH1A1 P00352 2/20 0.50
PARP10 Q53GL7 1/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PKM P14618 1/20 0.47
PPARG P37231 2/20 0.47
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
RECQL P46063 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
KCNA3 P22001 1/20 0.45

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
SCHEMBL4332538 1.00 PPARA (0.56) PPARAALDH1A1PARP10MTNR1AMTNR1B
SCHEMBL8644289 0.86 PPARA (0.74) PPARAPPARG
SCHEMBL8641651 0.85 PPARA (0.68) PPARAPPARG
SCHEMBL2517194 0.82 ALDH1A1 (0.60) PPARAALDH1A1PARP10MTNR1AMTNR1B
SCHEMBL82056 0.82 PPARA (0.73) PPARAALDH1A1MTNR1AMTNR1BPKM
Bromide SCHEMBL6049805 0.78 LTA4H (0.53) PPARAL3MBTL1
Bromide SCHEMBL6049807 0.78 LTA4H (0.53) PPARAL3MBTL1
SCHEMBL10641392 0.77 PPARA (0.88) PPARAPPARGL3MBTL1KCNA3
SCHEMBL27894071 0.77 BLM (0.46) PPARAALDH1A1PPARGL3MBTL1POLB
SCHEMBL28179377 0.77 ALDH1A1 (0.48) PPARAALDH1A1L3MBTL1MAPT

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-7612226-B2 Amino acid derivatives PFIZER INC. (US) 2009-11-03 US disclosed
EP-1879567-A1 AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-01-23 EP disclosed
US-20060247291-A1 Amino acid derivatives PFIZER, INC. 2006-11-02 US disclosed
WO-2006114707-A1 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-02 WO 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-20060247291-A1 Amino acid derivatives OPRL1, BCAT2, BCAT1 PPARA 3318/4885ALDH1A1 1189/4885PARP10 1802/4885

“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.