SCHEMBL2321874

SCHEMBL2321874

CN(C)C(=O)Oc1cc(C(=O)O)nn1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.46
CYP3A4 P08684 3/20 0.46
MME P08473 2/20 0.46
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NOTUM Q6P988 1/20 0.39
THRB P10828 1/20 0.38
GAA P10253 1/20 0.37
RPA1 P27694 1/20 0.37

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
SCHEMBL2316761 0.90 CTSA (0.44) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL2317415 0.83 CTSA (0.61) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL2323357 0.82 CTSA (0.52) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL2321564 0.80 CTSA (0.65) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL2321747 0.80 CTSA (0.50) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL15636437 0.79 CTSA (0.79) CTSACYP3A4MME
SCHEMBL2317216 0.79 CTSA (0.53) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL2322486 0.79 CTSA (0.43) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL2318563 0.78 CTSA (0.52) CTSACYP3A4MMETP53ALDH1A1
SCHEMBL14696621 0.78 CTSA (0.52) CTSACYP3A4MMETP53ALDH1A1

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 7 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
EP-2528902-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-12-05 EP 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 (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.