SCHEMBL10116828

SCHEMBL10116828

CCOC(=O)c1ccc(N2C(=O)C(=O)C(C(=O)c3ccc(OC)cc3)C2c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 16/20 0.56
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
THRB P10828 1/20 0.50

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
SCHEMBL15139594 0.97 SMN1; SMN2 (0.55) P2RX3MEN1USP2ALOX15TSHR
SCHEMBL10116876 0.96 P2RX3 (0.59) P2RX3MEN1USP2ALOX15TSHR
SCHEMBL10116821 0.95 MAPT (0.55) P2RX3MEN1USP2ALOX15TSHR
SCHEMBL10116699 0.95 P2RX3 (0.61) P2RX3MEN1USP2ALOX15TSHR
SCHEMBL10116756 0.95 P2RX3 (0.61) P2RX3MEN1USP2ALOX15TSHR
SCHEMBL10117117 0.95 P2RX3 (0.61) P2RX3MEN1USP2ALOX15TSHR
SCHEMBL10116698 0.95 P2RX3 (0.62) P2RX3MEN1KMT2AALDH1A1NPSR1
SCHEMBL10116852 0.92 MEN1 (0.57) P2RX3MEN1USP2ALOX15TSHR
SCHEMBL10117108 0.90 P2RX3 (0.56) P2RX3ALDH1A1SMN1; SMN2
SCHEMBL10117091 0.89 P2RX3 (0.51) P2RX3ALDH1A1NPSR1SMN1; SMN2THRB

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 1/4885MEN1 3731/4885USP2 4576/4885
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 P2RX3 1/4885MEN1 3731/4885USP2 4576/4885

“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.