SCHEMBL6845281

SCHEMBL6845281

Cc1ccccc1C(CC(=O)O)NC(=O)c1cc(OCc2ccccc2C#N)n(-c2ccccc2F)n1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSA P10619 20/20 0.75
CYP3A4 P08684 4/20 0.75
MME P08473 2/20 0.72

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
SCHEMBL14696496 1.00 CTSA (0.75) CTSACYP3A4MME
SCHEMBL2316877 0.92 CTSA (0.68) CTSACYP3A4MME
SCHEMBL6845224 0.92 CTSA (0.68) CTSACYP3A4MME
SCHEMBL15637361 0.87 CTSA (0.85) CTSACYP3A4MME
SCHEMBL15663706 0.87 CTSA (0.56) CTSACYP3A4MME
SCHEMBL15636047 0.87 CTSA (0.77) CTSACYP3A4MME
SCHEMBL15636405 0.86 CTSA (0.84) CTSACYP3A4MME
SCHEMBL15636165 0.86 CTSA (1.00) CTSACYP3A4MME
SCHEMBL15637085 0.85 CTSA (0.78) CTSACYP3A4MME
SCHEMBL15636875 0.84 CTSA (0.80) CTSACYP3A4MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664257-B2 Oxygen-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2014-03-04 US disclosed
US-20130046004-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-02-21 US disclosed
WO-2011092187-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2011-08-04 WO 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-20130046004-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE CTSA 10/4885CYP3A4 336/4885MME 258/4885

“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.