SCHEMBL10117296

SCHEMBL10117296

COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)C2c2ccc(F)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.79
CCR1 P32246 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 4/20 0.56
GAA P10253 2/20 0.56
ALOX15 P16050 1/20 0.56
P2RX3 P56373 5/20 0.55
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 2/20 0.52
HPGD P15428 3/20 0.50
HIF1A Q16665 1/20 0.50
HSD11B1 P28845 1/20 0.49
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL10117251 0.96 RXFP1 (0.80) RXFP1CCR1L3MBTL1ALDH1A1GAA
SCHEMBL10116880 0.95 RXFP1 (0.71) RXFP1CCR1L3MBTL1ALDH1A1GAA
SCHEMBL10117149 0.94 RXFP1 (0.71) RXFP1CCR1L3MBTL1ALDH1A1GAA
SCHEMBL10117615 0.93 RXFP1 (0.69) RXFP1CCR1L3MBTL1ALDH1A1GAA
SCHEMBL10116843 0.93 RXFP1 (0.69) RXFP1CCR1L3MBTL1ALDH1A1GAA
SCHEMBL10116882 0.93 RXFP1 (0.69) RXFP1CCR1L3MBTL1ALDH1A1GAA
SCHEMBL10116809 0.93 RXFP1 (0.69) RXFP1CCR1L3MBTL1ALDH1A1GAA
SCHEMBL10117260 0.91 RXFP1 (0.69) RXFP1CCR1L3MBTL1ALDH1A1GAA
SCHEMBL10116835 0.90 RXFP1 (0.65) RXFP1CCR1L3MBTL1ALDH1A1GAA
SCHEMBL10117207 0.89 RXFP1 (0.64) RXFP1CCR1L3MBTL1ALDH1A1GAA

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 RXFP1 31/4885CCR1 1184/4885L3MBTL1 4884/4885
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 RXFP1 31/4885CCR1 1184/4885L3MBTL1 4884/4885

“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.