SCHEMBL10116876

SCHEMBL10116876

CCOC(=O)c1ccc(N2C(=O)C(=O)C(C(=O)c3ccccc3)C2c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 18/20 0.59
ALDH1A1 P00352 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL10116698 0.97 P2RX3 (0.62) P2RX3ALDH1A1NPSR1MEN1KMT2A
SCHEMBL10116828 0.96 P2RX3 (0.56) P2RX3ALDH1A1NPSR1MEN1USP2
SCHEMBL15139594 0.93 SMN1; SMN2 (0.55) P2RX3ALDH1A1NPSR1MEN1USP2
SCHEMBL10116812 0.92 P2RX3 (0.58) P2RX3ALDH1A1NPSR1MEN1USP2
SCHEMBL10116756 0.91 P2RX3 (0.61) P2RX3ALDH1A1NPSR1MEN1USP2
SCHEMBL10116821 0.91 MAPT (0.55) P2RX3ALDH1A1NPSR1MEN1USP2
SCHEMBL10116699 0.91 P2RX3 (0.61) P2RX3ALDH1A1NPSR1MEN1USP2
SCHEMBL10117117 0.91 P2RX3 (0.61) P2RX3ALDH1A1NPSR1MEN1USP2
SCHEMBL15139586 0.91 P2RX3 (0.54) P2RX3ALDH1A1NPSR1MEN1USP2
SCHEMBL13521325 0.90 P2RX3 (0.53) P2RX3ALDH1A1NPSR1MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497263-B2 Pyrrolinone derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2013-07-30 US disclosed
US-8497263-B2 Pyrrolinone derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2013-07-30 US disclosed
US-8101644-B2 Pyrrolinone derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2012-01-24 US disclosed
US-8101644-B2 Pyrrolinone derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2012-01-24 US disclosed
US-20120010199-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KAI HIROYUKI (JP) 2012-01-12 US disclosed
US-20120010199-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KAI HIROYUKI (JP) 2012-01-12 US disclosed
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2010-08-19 US disclosed
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2010-08-19 US disclosed
EP-2143713-A1 NOVEL PYRROLINONE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME Shionogi&Co., Ltd. (JP) 2010-01-13 EP 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-20120010199-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 P2RX3 1/4885ALDH1A1 1235/4885NPSR1 32/4885
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 P2RX3 1/4885ALDH1A1 1235/4885NPSR1 32/4885

“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.