SCHEMBL7044444

SCHEMBL7044444

CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1c2ccccc2C[C@H]1C(=O)NC

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.53
XIAP P98170 2/20 0.48
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7040150 0.91 ACE (0.54) ACEXIAPCYP3A4KDM4EALDH1A1
SCHEMBL5565611 0.91 ACE (0.62) ACE
SCHEMBL7042902 0.90 KDM4E (0.55) ACEXIAPCYP3A4KDM4EALDH1A1
SCHEMBL5569748 0.89 ACE (0.54) ACE
SCHEMBL7041636 0.88 KDM4E (0.64) ACEXIAPCYP3A4KDM4EALDH1A1
2,2,2-Trifluoroethanaminium SCHEMBL8247740 0.84 ACE (0.58) ACE
Trifluoroacetamide SCHEMBL8247738 0.84 ACE (0.56) ACE
2,2,2-Trifluoroethanaminium SCHEMBL8208563 0.83 ACE (0.56) ACE
Trifluoroacetamide SCHEMBL8208560 0.83 ACE (0.54) ACE
SCHEMBL7036798 0.81 PTPN1 (0.52) XIAPLMNA

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 ACE 56/4885XIAP 1272/4885CYP3A4 1064/4885

“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.