SCHEMBL2319966

SCHEMBL2319966

O=C(O)c1cc(O)n(-c2cccc(Cl)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPP1CA P62136 2/20 0.68
▸ KDM4E B2RXH2 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ MARS1 P56192 2/20 0.51
▸ RPA1 P27694 7/20 0.50
▸ PKM P14618 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL2318841 0.85 RPA1 (0.68) PPP1CAALDH1A1L3MBTL1MARS1RPA1
SCHEMBL1143854 0.84 RPA1 (0.67) PPP1CAALDH1A1L3MBTL1MARS1RPA1
SCHEMBL954786 0.83 KMT2A (0.50) PPP1CAALDH1A1L3MBTL1RPA1MEN1
SCHEMBL1110855 0.82 PPP1CA (0.87) PPP1CAL3MBTL1MARS1RPA1SMN1; SMN2
SCHEMBL2319936 0.82 RPA1 (0.54) PPP1CAL3MBTL1MARS1RPA1SMN1; SMN2
SCHEMBL1765063 0.82 PPP1CA (0.82) PPP1CAL3MBTL1MARS1RPA1SMN1; SMN2
SCHEMBL1514559 0.81 PPP1CA (1.00) PPP1CAL3MBTL1MARS1RPA1SMN1; SMN2
SCHEMBL1143841 0.80 RPA1 (0.57) ALDH1A1L3MBTL1RPA1SMN1; SMN2MEN1
SCHEMBL2325622 0.80 RPA1 (0.46) PPP1CAALDH1A1L3MBTL1RPA1SMN1; SMN2
SCHEMBL955390 0.79 KMT2A (0.50) PPP1CAALDH1A1L3MBTL1RPA1SMN1; SMN2

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 PPP1CA 4330/4885KDM4E 3142/4885ALDH1A1 581/4885
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE PPP1CA 4330/4885KDM4E 3142/4885ALDH1A1 581/4885

“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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