SCHEMBL20130631

SCHEMBL20130631

CC(C)C(=O)CC[C@H](NC(=O)Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 3/20 0.48
CNR2 P34972 5/20 0.47
GPR34 Q9UPC5 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
FOLH1 Q04609 1/20 0.43
PPARA Q07869 1/20 0.43
SHMT1 P34896 1/20 0.43
SHMT2 P34897 1/20 0.43
PSMB8 P28062 1/20 0.43
PSMB5 P28074 1/20 0.43
LMNA P02545 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
MME P08473 1/20 0.42
CNR1 P21554 1/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL20126898 0.89 KMT2A (0.50) ALDH1A1HPGDMAPTKMT2ACNR2
SCHEMBL20099708 0.88 KMT2A (0.50) ALDH1A1HPGDMAPTKMT2ACNR2
SCHEMBL26309847 0.86 CNR2 (0.50) ALDH1A1HPGDMAPTKMT2ACNR2
SCHEMBL20130665 0.84 KMT2A (0.47) ALDH1A1HPGDMAPTKMT2ACNR2
SCHEMBL4923932 0.78 ALDH1A1 (0.60) ALDH1A1HPGDMAPTKMT2AMMP2
SCHEMBL4923938 0.78 ALDH1A1 (0.60) ALDH1A1HPGDMAPTKMT2AMMP2
SCHEMBL6136364 0.77 CNR2 (0.58) ALDH1A1KMT2ACNR2PSMB8PSMB5
SCHEMBL12835529 0.77 CNR2 (0.61) ALDH1A1HPGDMAPTKMT2ACNR2
SCHEMBL4916489 0.76 ALDH1A1 (0.57) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL8380872 0.74 CNR2 (0.58) KMT2ACNR2PSMB8PSMB5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968264-B2 Cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors JANSSEN PHARMACEUTICA NV (BE) 2021-04-06 US disclosed
US-20180127476-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-10 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 (2 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-20180127476-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY4R, NPY5R, NPY1R ALDH1A1 4881/4885HPGD 4490/4885MAPT 4141/4885
US-10968264-B2 Cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors NPY4R, NPY5R, NPY1R ALDH1A1 4881/4885HPGD 4490/4885MAPT 4141/4885

“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.