SCHEMBL14809798

SCHEMBL14809798

CC(C)Cn1ccc2c(-c3ccc(Cl)cc3)c(C(OC(C)(C)C)C(=O)O)n(C)c(=O)c21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
P2RX3 P56373 1/20 0.30
PSIP1 O75475 1/20 0.30

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
SCHEMBL16252243 0.90 CYP3A4 (0.36) CYP3A4MAPTKMT2ADPP4LIPG
SCHEMBL14823828 0.90 CYP3A4 (0.36) CYP3A4KMT2ALIPGMMP2MMP9
SCHEMBL14810084 0.89 CYP3A4 (0.36) CYP3A4TP53LIPGMMP2MMP9
SCHEMBL14809136 0.88 MAPT (0.37) CYP3A4TP53MAPTKMT2ALIPG
SCHEMBL14810111 0.86 MAPT (0.39) CYP3A4TP53MAPTLIPG
SCHEMBL14810135 0.85 CYP3A4 (0.34) CYP3A4LIPGP2RX3PSIP1
SCHEMBL16252239 0.85 CYP3A4 (0.34) CYP3A4LIPGP2RX3PSIP1
SCHEMBL14809836 0.85 MAPT (0.36) CYP3A4TP53MAPTKMT2A
SCHEMBL14810628 0.85 MEN1 (0.34) CYP3A4KMT2A
SCHEMBL16252244 0.84 CYP3A4 (0.36) CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757887-B1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LTD (GB) 2017-04-26 EP claimed
US-9012642-B2 Pyrrolopyridinone compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-04-21 US claimed
US-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-11-20 US claimed
EP-2757887-A1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2014-07-30 EP claimed
WO-2013043553-A1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-03-28 WO claimed
EP-2757887-B1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LTD (GB) 2017-04-26 EP disclosed
EP-2757887-B1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LTD (GB) 2017-04-26 EP disclosed
US-9012642-B2 Pyrrolopyridinone compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-04-21 US disclosed
US-9012642-B2 Pyrrolopyridinone compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-04-21 US disclosed
US-9012642-B2 Pyrrolopyridinone compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-04-21 US disclosed
US-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-11-20 US disclosed
US-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-11-20 US disclosed
US-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-11-20 US disclosed
EP-2757887-A1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2014-07-30 EP disclosed
WO-2013043553-A1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-03-28 WO disclosed
WO-2013043553-A1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-03-28 WO 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 (1 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-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV DHPS, PRNP, TYMP CYP3A4 573/4885TP53 1070/4885MAPT 1289/4885

“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.