SCHEMBL1640947

SCHEMBL1640947

O=C(NC(C(=O)O)c1cccs1)c1ccc(-n2ccc3ccccc3c2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.38
▸ TACR3 P29371 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ PLA2G10 O15496 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ PIN1 Q13526 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ ELANE P08246 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL14273475 0.88 PYGL (0.34) PYGLTACR3KDM4EALDH1A1RXFP1
SCHEMBL12727568 0.85 S1PR4 (0.34) PYGLTACR3KDM4EALDH1A1RXFP1
SCHEMBL1639115 0.84 F10 (0.42) —
SCHEMBL12727521 0.77 GAA (0.49) KDM4EALDH1A1RXFP1L3MBTL1GAA
SCHEMBL1640705 0.71 F10 (0.36) KDM4EALDH1A1RXFP1
SCHEMBL12727585 0.71 F10 (0.38) —
SCHEMBL1640628 0.69 F10 (0.37) TACR3KDM4EALDH1A1RXFP1MAPT
SCHEMBL1639790 0.69 F10 (0.35) KDM4EALDH1A1RXFP1HDAC6
SCHEMBL1640301 0.69 F10 (0.39) KDM4ERXFP1
SCHEMBL3834826 0.69 F10 (0.34) GAA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101534832-A Substituted nitrogen containing heterocycles as platelet ADP receptor inhibitors PORTOLA PHARM INC (US) 2009-09-16 — — CN claimed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 — — US claimed
EP-2094272-B1 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2014-03-26 — — EP disclosed
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 — — US disclosed
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 — — US disclosed
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 — — US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 — — US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 — — US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 — — US disclosed
CN-101534832-A Substituted nitrogen containing heterocycles as platelet ADP receptor inhibitors PORTOLA PHARM INC (US) 2009-09-16 — — CN disclosed
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 — — EP disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 — — US disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 — — US disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 — — US disclosed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO disclosed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — 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-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors TBXA2R, F2R, PTGER1 PYGL 3735/4885TACR3 2813/4885KDM4E 4643/4885
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, PTAFR, PLAT PYGL 1450/4885TACR3 618/4885KDM4E 4863/4885

“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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