SCHEMBL2325622

SCHEMBL2325622

O=C(O)c1cc(O)n(-c2ccnc(Cl)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RPA1 P27694 11/20 0.46
▸ PPP1CA P62136 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL2319966 0.80 PPP1CA (0.68) RPA1PPP1CAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL14696670 0.80 RPA1 (0.53) RPA1PPP1CAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL2318841 0.78 RPA1 (0.68) RPA1PPP1CAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1143854 0.77 RPA1 (0.67) RPA1PPP1CAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL30912707 0.75 KMT2A (0.42) RPA1PPP1CAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL2319936 0.75 RPA1 (0.54) RPA1PPP1CAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL14995361 0.75 PPP1CA (0.71) RPA1PPP1CAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL15004255 0.75 KMT2A (0.56) RPA1PPP1CAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL29271151 0.74 APOBEC3A (0.47) RPA1PPP1CAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL15004322 0.73 KMT2A (0.51) RPA1PPP1CAL3MBTL1SMN1; SMN2KMT2A

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 RPA1 4448/4885PPP1CA 4330/4885L3MBTL1 2784/4885
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE RPA1 4448/4885PPP1CA 4330/4885L3MBTL1 2784/4885

“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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