SCHEMBL7041636

SCHEMBL7041636

CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H](CC)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
ACE P12821 2/20 0.50
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
XIAP P98170 1/20 0.47
TGM2 P21980 1/20 0.47

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
SCHEMBL7042902 0.95 KDM4E (0.55) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7040150 0.91 ACE (0.54) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7042026 0.89 KDM4E (0.51) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7038631 0.89 KDM4E (0.51) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7044444 0.88 ACE (0.53) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5565611 0.87 ACE (0.62) ACE
SCHEMBL7038189 0.86 PREP (0.50) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5569748 0.85 ACE (0.54) ACE
SCHEMBL7038648 0.84 KDM4E (0.62) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5563821 0.81 KDM4E (0.49) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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-20030027743-A1 Tripeptidylpeptidase inhibitors INSERM 2003-02-06 US disclosed
US-6403561-B1 DISORDERS ASSOCIATED WITH THE INACTIVATION OR EXCESSIVE DEGRADATION OF CHOLECYSTOKININ; INHIBITING THE ENZYMATIC HYDROLYSIS OF CHOLECYSTOKININ 1-(2(S)-AMINOBUTYRYL)-2(S)-INDOLINECARBOXYLIC ACID INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-06-11 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-20030027743-A1 Tripeptidylpeptidase inhibitors DPP4, DPP3, DPP9 KDM4E 3475/4885ALDH1A1 630/4885CYP1A2 1462/4885

“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.