SCHEMBL10117110

SCHEMBL10117110

COc1ccc(C(=O)C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)C2c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
P2RX3 P56373 13/20 0.46
CCR2 P41597 1/20 0.46
MAOB P27338 1/20 0.43
STING1 Q86WV6 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL10117120 0.96 ALDH1A1 (0.47) ALDH1A1P2RX3CCR2MAOBSTING1
SCHEMBL10117136 0.96 ALDH1A1 (0.46) ALDH1A1P2RX3CCR2MAOBSTING1
SCHEMBL10117114 0.95 MEN1 (0.47) ALDH1A1P2RX3CCR2MAOBSTING1
SCHEMBL10117129 0.93 P2RX3 (0.46) ALDH1A1P2RX3CCR2SMN1; SMN2TSHR
SCHEMBL10117134 0.91 P2RX3 (0.45) ALDH1A1P2RX3CCR2TSHR
SCHEMBL10117125 0.89 P2RX3 (0.55) ALDH1A1P2RX3CCR2MAOB
SCHEMBL10117122 0.88 P2RX3 (0.49) ALDH1A1P2RX3CCR2SMN1; SMN2
SCHEMBL10117108 0.83 P2RX3 (0.56) ALDH1A1P2RX3STING1SMN1; SMN2
SCHEMBL10117082 0.82 P2RX3 (0.56) ALDH1A1P2RX3STING1GAAHSD17B10
SCHEMBL10117101 0.82 P2RX3 (0.48) P2RX3STING1

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 8 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

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 ALDH1A1 1235/4885P2RX3 1/4885CCR2 917/4885
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 ALDH1A1 1235/4885P2RX3 1/4885CCR2 917/4885

“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.