SCHEMBL20100663

SCHEMBL20100663

CCCCCCCCCC(C(=O)N[C@@H](CCC(=O)C(C)(C)C)C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.43
MME P08473 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOD1 Q9Y239 1/20 0.39
MMP2 P08253 3/20 0.38
MMP3 P08254 1/20 0.38
FOLH1 Q04609 3/20 0.37
CCR2 P41597 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
TGM2 P21980 1/20 0.36
PTPN1 P18031 1/20 0.35
MMP1 P03956 1/20 0.35

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
SCHEMBL20100659 0.90 NOD1 (0.41) ACEMMENOD1MMP2MMP3
SCHEMBL20100656 0.90 FOLH1 (0.43) ACEMMENOD1FOLH1
SCHEMBL20126949 0.89 MME (0.41) ACEMMENOD1MMP2MMP3
SCHEMBL20126948 0.86 NOD1 (0.38) ACEMMENOD1MMP2MMP3
SCHEMBL20100662 0.85 ACE (0.38) ACEMMESMN1; SMN2NOD1MMP2
SCHEMBL20126950 0.80 NOD1 (0.38) ACEMMENOD1MMP2MMP3
SCHEMBL31584425 0.77 PSEN1 (0.47) CYP3A4CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL9825139 0.74 MME (0.65) ACEMMEMMP2FOLH1CPA1
SCHEMBL20100673 0.74 ALB (0.47) ACENOD1
SCHEMBL31584993 0.73 PSEN1 (0.48) CYP3A4CYP1A2CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117170-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 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 (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-20180117170-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY1R, NPY5R, NPY2R ACE 2452/4885MME 432/4885CYP3A4 4832/4885

“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.