SCHEMBL10116902

SCHEMBL10116902

CCOC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)C2c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 12/20 0.66
KDM4E B2RXH2 5/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
RXFP1 Q9HBX9 3/20 0.54
CCR1 P32246 2/20 0.54
HSD17B10 Q99714 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TSHR P16473 2/20 0.53
CYP2C9 P11712 1/20 0.53
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL10117195 0.89 P2RX3 (0.83) P2RX3KDM4EKMT2AMEN1LMNA
SCHEMBL392709 0.86 P2RX3 (0.62) P2RX3KDM4EKMT2AMEN1LMNA
SCHEMBL10116926 0.84 KDM4E (0.69) P2RX3KDM4EKMT2AMEN1LMNA
SCHEMBL391921 0.82 P2RX3 (0.59) P2RX3KDM4EKMT2AMEN1LMNA
SCHEMBL10117290 0.82 RXFP1 (0.71) P2RX3KDM4EKMT2AMEN1LMNA
SCHEMBL10117149 0.82 RXFP1 (0.71) P2RX3KDM4EKMT2AMEN1LMNA
SCHEMBL10117182 0.81 P2RX3 (0.52) P2RX3KDM4EKMT2AMEN1LMNA
SCHEMBL10116893 0.81 P2RX3 (0.68) P2RX3KDM4EKMT2AMEN1LMNA
SCHEMBL10116895 0.80 P2RX3 (0.58) P2RX3KDM4EKMT2AMEN1LMNA
SCHEMBL10116830 0.80 P2RX3 (0.70) P2RX3KDM4EKMT2AMEN1LMNA

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 1/4885KDM4E 3560/4885KMT2A 3720/4885
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 P2RX3 1/4885KDM4E 3560/4885KMT2A 3720/4885

“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.