SCHEMBL12100804

SCHEMBL12100804

Nc1cc(C(=O)N[C@@H](CC(=O)O)c2cccc(Cl)c2Cl)nn1-c1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 20/20 0.59
▸ CYP3A4 P08684 3/20 0.58
▸ MME P08473 2/20 0.58

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
SCHEMBL12100806 1.00 CTSA (0.59) CTSACYP3A4MME
SCHEMBL15636752 0.90 CTSA (0.60) CTSACYP3A4MME
SCHEMBL15636593 0.90 CTSA (0.60) CTSACYP3A4MME
SCHEMBL15635927 0.87 CTSA (0.60) CTSACYP3A4MME
SCHEMBL15637266 0.87 CTSA (0.78) CTSACYP3A4MME
SCHEMBL15636674 0.86 CTSA (0.78) CTSACYP3A4MME
SCHEMBL12099989 0.86 CTSA (0.77) CTSACYP3A4MME
SCHEMBL12099983 0.86 CTSA (0.77) CTSACYP3A4MME
SCHEMBL15636629 0.83 CTSA (0.61) CTSACYP3A4MME
SCHEMBL15637188 0.83 CTSA (0.79) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962671-B2 Amino-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-02-24 — — US claimed
EP-2668167-B1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-12-17 — — EP claimed
EP-2668167-A1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-12-04 — — EP claimed
US-20120232112-A1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-09-13 — — US claimed
WO-2012101199-A1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-08-02 — — WO claimed
US-8962671-B2 Amino-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-02-24 — — US disclosed
EP-2668167-B1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-12-17 — — EP disclosed
WO-2014053533-A1 USE OF SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AS PHARMACEUTICALS FOR PREVENTION/TREATMENT OF ATRIAL FIBRILLATION SANOFI (FR) 2014-04-10 — — WO disclosed
EP-2668167-A1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-12-04 — — EP disclosed
US-20120232112-A1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-09-13 — — US disclosed
WO-2012101199-A1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-08-02 — — 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-20120232112-A1 AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE CTSA 12/4885CYP3A4 787/4885MME 117/4885

“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.

Send feedback