SCHEMBL1972290

SCHEMBL1972290

COC(=O)C(=O)CC(=O)C1(C)COC(C)(C)OC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 1/20 0.32
KCNA1 Q09470 1/20 0.32
KCNAB1 Q14722 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7643528 0.81 MGAM (0.43) KCNA4KCNA1KCNAB1ALDH1A1
SCHEMBL7643532 0.78 KCNA4 (0.32) KCNA4KCNA1KCNAB1ALDH1A1
SCHEMBL21040847 0.71 ALDH1A1 (0.35) KCNA4KCNA1KCNAB1ALDH1A1
SCHEMBL19734618 0.71 ALDH1A1 (0.35) KCNA4KCNA1KCNAB1ALDH1A1
SCHEMBL8804004 0.67 ALDH1A1 (0.45) ALDH1A1
SCHEMBL31644448 0.67 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7733528 0.66 KCNA4 (0.37) KCNA4KCNA1KCNAB1ALDH1A1
SCHEMBL1970312 0.65 KCNA4 (0.39) KCNA4KCNA1KCNAB1
SCHEMBL351192 0.65 MGAM (0.52) ALDH1A1
SCHEMBL26976622 0.64 ALDH1A1 (0.37) ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288942-B1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-10-27 EP disclosed
US-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds Janssen Sciences Ireland Unlimited Company (IE) 2021-08-10 US disclosed
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-07-16 US disclosed
US-20190248793-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2019-08-15 US disclosed
US-10208048-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds JANSSEN SCIENCES IRELAND UC (IE) 2019-02-19 US disclosed
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 US disclosed
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 US disclosed
WO-2016174079-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-11-03 WO disclosed
US-8575197-B2 Pyrolinone derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2013-11-05 US disclosed
US-8575197-B2 Pyrolinone derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2013-11-05 US disclosed
US-20110183939-A1 NOVEL PYROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2011-07-28 US disclosed
US-20110183939-A1 NOVEL PYROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2011-07-28 US disclosed
US-20110183939-A1 NOVEL PYROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2011-07-28 US disclosed
EP-2336109-A1 NOVEL PYRROLINONE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING SAME Shionogi&Co., Ltd. (JP) 2011-06-22 EP disclosed
EP-2336109-A1 NOVEL PYRROLINONE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING SAME Shionogi&Co., Ltd. (JP) 2011-06-22 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 (6 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-20110183939-A1 NOVEL PYROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX7, P2RX2 KCNA4 82/4885KCNA1 36/4885KCNAB1 93/4885
US-10208048-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP KCNA4 3744/4885KCNA1 4149/4885KCNAB1 4366/4885
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP KCNA4 3744/4885KCNA1 4149/4885KCNAB1 4366/4885
US-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP KCNA4 3744/4885KCNA1 4149/4885KCNAB1 4366/4885
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP KCNA4 3744/4885KCNA1 4149/4885KCNAB1 4366/4885
US-20190248793-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP KCNA4 3744/4885KCNA1 4149/4885KCNAB1 4366/4885

“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.