SCHEMBL2317465

SCHEMBL2317465

COc1cc(C(=O)O)nn1-c1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.47
▸ CTSA P10619 2/20 0.47
▸ MME P08473 1/20 0.47
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MARS1 P56192 3/20 0.42
▸ PTGER1 P34995 4/20 0.40
▸ RPA1 P27694 2/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ PPP1CA P62136 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SCN9A Q15858 1/20 0.36

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
SCHEMBL2317415 0.85 CTSA (0.61) CYP3A4CTSAMMEKMT2AMEN1
SCHEMBL2320846 0.80 KMT2A (0.46) KMT2AMEN1ATMMARS1PTGER1
SCHEMBL2322024 0.78 THRB (0.50) KMT2AMEN1RPA1PPP1CAALDH1A1
SCHEMBL15635988 0.76 CTSA (0.85) CYP3A4CTSAMME
SCHEMBL15682945 0.74 CTSA (0.55) CYP3A4CTSAMMEALDH1A1
SCHEMBL2320255 0.74 MARS1 (0.49) CYP3A4CTSAMMEKMT2AMEN1
SCHEMBL2320824 0.74 ALDH1A1 (0.59) KMT2ARPA1PPP1CAALDH1A1
SCHEMBL11860723 0.73 POLB (0.61) KMT2AMEN1ATMMARS1RPA1
SCHEMBL2318711 0.73 CTSA (0.54) CYP3A4CTSAMMEALDH1A1
SCHEMBL2321176 0.73 CTSA (0.57) CYP3A4CTSAMMEALDH1A1

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
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 CYP3A4 336/4885CTSA 10/4885MME 258/4885
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE CYP3A4 336/4885CTSA 10/4885MME 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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