SCHEMBL10116779

SCHEMBL10116779

COC(=O)c1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)C2c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.56
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.54
RXFP1 Q9HBX9 4/20 0.50
CCR1 P32246 2/20 0.49
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PPARG P37231 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
CCR2 P41597 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL10117159 0.90 RXFP1 (0.56) P2RX3KDM4EMEN1KMT2ALMNA
SCHEMBL10116868 0.88 KDM4E (0.65) P2RX3KDM4EMEN1KMT2ALMNA
SCHEMBL10117312 0.83 KDM4E (0.51) P2RX3KDM4EMEN1KMT2ALMNA
SCHEMBL10117163 0.83 P2RX3 (0.59) P2RX3KDM4EMEN1KMT2ALMNA
SCHEMBL10116809 0.81 RXFP1 (0.69) P2RX3KDM4EMEN1KMT2AHPGD
SCHEMBL2233272 0.78 CCR1 (0.52) P2RX3KDM4EMEN1KMT2ALMNA
SCHEMBL10117149 0.78 RXFP1 (0.71) P2RX3KDM4EMEN1KMT2ALMNA
SCHEMBL28248928 0.78 CASP3 (0.62) P2RX3KDM4EMEN1KMT2ALMNA
SCHEMBL10116926 0.78 KDM4E (0.69) P2RX3KDM4EMEN1KMT2ALMNA
SCHEMBL2301658 0.77 CCR1 (0.54) P2RX3KDM4EMEN1KMT2ALMNA

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 3560/4885MEN1 3731/4885
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 P2RX3 1/4885KDM4E 3560/4885MEN1 3731/4885

“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.