SCHEMBL2325361

SCHEMBL2325361

COc1ccc(C(CC(=O)O)NC(=O)c2cc(O)n(-c3ccccc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 12/20 0.55
▸ ALDH1A1 P00352 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ DHODH Q02127 1/20 0.52
▸ CYP26A1 O43174 3/20 0.48
▸ MME P08473 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47

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
SCHEMBL15635838 1.00 CTSA (0.55) CTSAALDH1A1THRBHPGDNPSR1
SCHEMBL15635973 0.92 CTSA (0.54) CTSAALDH1A1THRBHPGDNPSR1
SCHEMBL15635964 0.92 CTSA (0.54) CTSADHODHMMECYP3A4
SCHEMBL15636099 0.91 CTSA (0.55) CTSAALDH1A1THRBHPGDNPSR1
SCHEMBL15636824 0.91 CYP26A1 (0.53) CTSAALDH1A1DHODHCYP26A1MME
SCHEMBL15636978 0.91 CYP26A1 (0.53) CTSAALDH1A1DHODHCYP26A1MME
SCHEMBL15636741 0.91 CTSA (0.59) CTSACYP26A1MMECYP3A4
SCHEMBL15636682 0.90 CTSA (0.54) CTSAALDH1A1THRBHPGDNPSR1
SCHEMBL15636490 0.89 CYP26A1 (0.50) CTSACYP26A1MMECYP3A4
SCHEMBL15637590 0.88 CTSA (0.59) CTSAALDH1A1THRBHPGDNPSR1

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 10 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 claimed
US-20130046004-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-02-21 — — US 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
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
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 10/4885ALDH1A1 581/4885THRB 2602/4885
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE CTSA 10/4885ALDH1A1 581/4885THRB 2602/4885

“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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