SCHEMBL6742819

SCHEMBL6742819

O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1CC=CC1)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PYGL P06737 18/20 0.78
CYP51A1 Q16850 2/20 0.62
EGFR P00533 1/20 0.62

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
Ingliforib SCHEMBL13483321 0.90 PYGL (0.74) PYGLCYP51A1EGFR
Ingliforib SCHEMBL7239034 0.90 PYGL (0.74) PYGLCYP51A1EGFR
Ingliforib SCHEMBL29388624 0.90 PYGL (0.74) PYGLCYP51A1EGFR
Ingliforib SCHEMBL122709 0.90 PYGL (0.74) PYGLCYP51A1EGFR
SCHEMBL7244130 0.90 PYGL (0.74) PYGLCYP51A1EGFR
Ingliforib SCHEMBL6705938 0.90 PYGL (0.74) PYGLCYP51A1EGFR
Ingliforib SCHEMBL8739351 0.90 PYGL (0.74) PYGLCYP51A1EGFR
SCHEMBL7243957 0.89 PYGL (0.73) PYGLCYP51A1EGFR
SCHEMBL7239232 0.89 PYGL (0.73) PYGLCYP51A1EGFR
SCHEMBL6634027 0.88 PYGL (1.00) PYGLEGFR

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-6696574-B2 N-(INDOLE-2-CARBONYL)-BETA-ALANINAMIDE DERIVATIVES PFIZER INC. 2004-02-24 US disclosed
US-20030187051-A1 Anticholesterol agents, cardiovascular disorders, hypotensive agents, antidiabetic agents, antitumor agents PFIZER INC. 2003-10-02 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-20030187051-A1 Anticholesterol agents, cardiovascular disorders, hypotensive agents, antidiabetic agents, antitumor agents PYGL, PYGM, AGL PYGL 1/4885CYP51A1 190/4885EGFR 1859/4885

“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.