SCHEMBL2320865

SCHEMBL2320865

Cc1ccc(C)c(-n2nc(C(=O)NC(CC(=O)O)c3cccc(OC(C)(C)C)c3)cc2O)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 17/20 0.43
▸ CYP3A4 P08684 2/20 0.41
▸ MME P08473 1/20 0.41
▸ CYP26A1 O43174 2/20 0.41
▸ ITGB3 P05106 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ ITGB5 P18084 1/20 0.39
▸ ITGB6 P18564 1/20 0.39

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
SCHEMBL15635378 0.91 CTSA (0.51) CTSACYP3A4MMECYP26A1
SCHEMBL15635984 0.89 CTSA (0.51) CTSACYP3A4MMECYP26A1
SCHEMBL15635445 0.87 CYP26A1 (0.49) CTSACYP3A4MMECYP26A1
SCHEMBL15636612 0.86 CTSA (0.50) CTSACYP3A4MMECYP26A1
SCHEMBL15636743 0.86 CTSA (0.49) CTSACYP3A4MMECYP26A1
SCHEMBL15636409 0.85 CTSA (0.51) CTSACYP3A4MMECYP26A1
SCHEMBL15635938 0.85 CTSA (0.53) CTSACYP26A1
SCHEMBL15636985 0.84 CTSA (0.48) CTSACYP3A4MMEITGB3ITGAV
SCHEMBL15636477 0.83 CTSA (0.53) CTSACYP3A4MME
SCHEMBL15636728 0.82 CTSA (0.45) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102884052-B O-substituted 3-heteroaroylamino-propionic acid derivatives and their pharmaceutical use SAI NUOFEI (FR) 2015-10-21 — — CN claimed
US-8664257-B2 Oxygen-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2014-03-04 — — US claimed
US-20130046004-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-02-21 — — US claimed
CN-102884052-A O-substituted 3-heteroaroylamino-propionic acid derivatives and their pharmaceutical use SANOFI SA 2013-01-16 — — CN claimed
EP-2528902-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-12-05 — — EP claimed
WO-2011092187-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2011-08-04 — — WO claimed
CN-102884052-B O-substituted 3-heteroaroylamino-propionic acid derivatives and their pharmaceutical use SAI NUOFEI (FR) 2015-10-21 — — CN disclosed
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-05-08 — — US 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
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
CN-102884052-A O-substituted 3-heteroaroylamino-propionic acid derivatives and their pharmaceutical use SANOFI SA 2013-01-16 — — CN 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.

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