SCHEMBL6756804

SCHEMBL6756804

CC(=O)c1cc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.53
ITGB3 P05106 9/20 0.53
ITGAV P06756 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
ITGA2B P08514 8/20 0.53
CTSL P07711 3/20 0.52
CTSB P07858 3/20 0.52
CTSS P25774 3/20 0.52
CTSK P43235 2/20 0.51
TACR1 P25103 2/20 0.49

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
SCHEMBL6758789 0.91 ALDH1A1 (0.51) TYRITGB3ALDH1A1ALOX15ITGA2B
SCHEMBL6755321 0.89 ITGB3 (0.54) TYRITGB3ITGAVALDH1A1ALOX15
SCHEMBL9744810 0.87 TYR (0.58) TYRITGB3ITGAVALDH1A1ALOX15
SCHEMBL30319896 0.87 TYR (0.58) TYRITGB3ITGAVALDH1A1ALOX15
SCHEMBL9744805 0.87 TYR (0.58) TYRITGB3ITGAVALDH1A1ALOX15
SCHEMBL9825306 0.84 ITGA4 (0.57) TYRITGB3ITGAVALDH1A1ALOX15
SCHEMBL8586533 0.84 ITGB3 (0.57) TYRITGB3ITGAVITGA2BCTSL
SCHEMBL8586541 0.84 FOLH1 (0.58) TYRITGB3ITGAVITGA2BCTSL
SCHEMBL17294499 0.84 CA2 (0.57) TYRITGB3ITGAVITGA2BCTSL
SCHEMBL17685892 0.83 ITGB3 (0.56) TYRITGB3ITGAVITGA2BCTSL

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-6720433-B2 MOTILIN RECEPTOR ANTAGONIST; PHE-N-ME-VAL-(3-(3-METHYLINDOL-5-YL))ALA-NH2;PHE-N-ME-VAL-PHE( 3-ACETYL-4-HYDROXY)-NH2;PHE-N-ME-VAL-(3-(5-TERT-BUTYL-4-SULFAM OYL-2-FURYL))ALA-NH2 CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-13 US disclosed
US-20030176643-A1 Ethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-09-18 US disclosed
US-6586630-B1 Carbocyclic carboxy amines, used as motilin receptor antagonists for therapy of gastrointerstinal disorders such as irritable bowel syndrome; hormone inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-01 US disclosed
EP-1116726-A1 ETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-07-18 EP 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-20030176643-A1 Ethylamine derivatives MLNR, GIPR, MC4R TYR 1172/4885ITGB3 2370/4885ITGAV 2511/4885

“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.