SCHEMBL16252243

SCHEMBL16252243

CCCn1ccc2c(-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 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
LIPG Q9Y5X9 1/20 0.31
GRM2 Q14416 2/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
PSIP1 O75475 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
DPP4 P27487 1/20 0.30
MAPT P10636 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
SCHEMBL14823828 0.93 CYP3A4 (0.36) CYP3A4LIPGMMP2MMP9PSIP1
SCHEMBL14810084 0.92 CYP3A4 (0.36) CYP3A4LIPGMMP2MMP9PSIP1
SCHEMBL14809798 0.90 CYP3A4 (0.36) CYP3A4LIPGMMP2MMP9PSIP1
SCHEMBL14809136 0.89 MAPT (0.37) CYP3A4PPARGPPARALIPGMMP2
SCHEMBL14810628 0.88 MEN1 (0.34) CYP3A4KMT2A
SCHEMBL14810111 0.87 MAPT (0.39) CYP3A4PPARGPPARALIPGKDM4E
SCHEMBL14809836 0.86 MAPT (0.36) CYP3A4KMT2AALDH1A1MAPT
SCHEMBL16252239 0.84 CYP3A4 (0.34) CYP3A4LIPGPSIP1
SCHEMBL16252244 0.84 CYP3A4 (0.36) CYP3A4KDM4EALDH1A1MAPT
SCHEMBL14810135 0.84 CYP3A4 (0.34) CYP3A4LIPGPSIP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 573/4885PPARG 1365/4885PPARA 1168/4885

“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.