SCHEMBL10116888

SCHEMBL10116888

CCOc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(OC)cc3)C2c2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 12/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
HSD11B1 P28845 1/20 0.46
ALDH1A1 P00352 5/20 0.44
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10117091 0.95 P2RX3 (0.51) P2RX3ALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL10116891 0.93 P2RX3 (0.54) P2RX3RXFP1TDP1HSD11B1ALDH1A1
SCHEMBL10116699 0.90 P2RX3 (0.61) P2RX3RXFP1ALDH1A1NPSR1MAPT
SCHEMBL10116931 0.90 P2RX3 (0.49) P2RX3ALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL10116955 0.90 P2RX3 (0.51) P2RX3RXFP1HSD11B1ALDH1A1NPSR1
SCHEMBL10117141 0.88 P2RX3 (0.50) P2RX3RXFP1TDP1HSD11B1ALDH1A1
SCHEMBL10117108 0.87 P2RX3 (0.56) P2RX3ALDH1A1SMN1; SMN2
SCHEMBL10117089 0.86 P2RX3 (0.50) P2RX3ALDH1A1NPSR1MAPTHPGD
SCHEMBL10117084 0.85 TP53 (0.49) P2RX3ALDH1A1NPSR1KDM4EMAPT
SCHEMBL10116828 0.85 P2RX3 (0.56) P2RX3ALDH1A1NPSR1MAPTSMN1; 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 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 1/4885RXFP1 31/4885TDP1 2443/4885
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 P2RX3 1/4885RXFP1 31/4885TDP1 2443/4885

“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.