SCHEMBL14696330

SCHEMBL14696330

CC(C)C(C)(O)COc1cc(C(=O)NC(CC(=O)O)c2cccc(F)c2)nn1-c1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 18/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ MME P08473 2/20 0.55
▸ CYP26A1 O43174 1/20 0.44
▸ PTGS2 P35354 1/20 0.42

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
SCHEMBL14696742 1.00 CTSA (0.59) CTSACYP3A4MMECYP26A1PTGS2
SCHEMBL2316955 1.00 CTSA (0.59) CTSACYP3A4MMECYP26A1PTGS2
SCHEMBL14696329 1.00 CTSA (0.59) CTSACYP3A4MMECYP26A1PTGS2
SCHEMBL14696531 1.00 CTSA (0.59) CTSACYP3A4MMECYP26A1PTGS2
SCHEMBL14696635 0.93 CTSA (0.59) CTSACYP3A4MMEPTGS2
SCHEMBL14696041 0.93 CTSA (0.59) CTSACYP3A4MMEPTGS2
SCHEMBL2318755 0.93 CTSA (0.59) CTSACYP3A4MMEPTGS2
SCHEMBL14696793 0.93 CTSA (0.59) CTSACYP3A4MMEPTGS2
SCHEMBL14696039 0.93 CTSA (0.59) CTSACYP3A4MMEPTGS2
SCHEMBL14696617 0.92 CTSA (0.62) CTSACYP3A4MMEPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2826772-A1 Intermediates for the synthesis of oxygen-substituted 3-heteroaroylamino-propionic acid derivatives SANOFI (FR) 2015-01-21 — — EP disclosed
EP-2528902-B1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-11-12 — — EP disclosed
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-05-08 — — US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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
US-20140128616-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.

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