SCHEMBL10117103

SCHEMBL10117103

COc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.55
CA2 P00918 8/20 0.55
CA4 P22748 8/20 0.55
CA7 P43166 8/20 0.55
P2RX3 P56373 10/20 0.51
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
STING1 Q86WV6 1/20 0.46

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
SCHEMBL10116956 0.91 P2RX3 (0.58) P2RX3ALDH1A1CYP2C9STING1
SCHEMBL10117082 0.88 P2RX3 (0.56) P2RX3KDM4EALDH1A1CYP2C9HSD17B10
SCHEMBL10117119 0.87 P2RX3 (0.55) P2RX3ALDH1A1CYP2C9STING1
SCHEMBL10116774 0.85 P2RX3 (0.54) P2RX3ALDH1A1STING1
SCHEMBL10117108 0.85 P2RX3 (0.56) P2RX3ALDH1A1CYP2C9STING1
SCHEMBL10117100 0.84 P2RX3 (0.55) P2RX3ALDH1A1CYP2C9STING1
SCHEMBL10117131 0.83 P2RX3 (0.54) P2RX3ALDH1A1CYP2C9STING1
SCHEMBL10116698 0.82 P2RX3 (0.62) P2RX3KDM4EALDH1A1
SCHEMBL10116772 0.82 P2RX3 (0.51) P2RX3ALDH1A1STING1
SCHEMBL10116913 0.80 P2RX3 (0.57) 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 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 CA1 2492/4885CA2 647/4885CA4 1984/4885
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 CA1 2492/4885CA2 647/4885CA4 1984/4885

“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.