SCHEMBL2076722

SCHEMBL2076722

[c]1cccc(C2CCCO2)c1C1CCCO1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.31
HRH1 P35367 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4724416 0.95 PDE10A (0.31)
SCHEMBL4852619 0.80
SCHEMBL4852621 0.75
SCHEMBL22834968 0.74 SLC6A2 (0.33)
SCHEMBL467080 0.71 SMN1; SMN2 (0.35) GAASMN1; SMN2
SCHEMBL6189624 0.71 HCAR3 (0.31)
SCHEMBL2557814 0.69 MEN1 (0.44) NLRP3GAASMN1; SMN2
SCHEMBL10323402 0.69 CFTR (0.38) NLRP3GAASMN1; SMN2
SCHEMBL10323447 0.69 CFTR (0.38) NLRP3GAASMN1; SMN2
SCHEMBL10324942 0.69 CFTR (0.38) NLRP3GAASMN1; SMN2

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US claimed
US-7897592-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 US claimed
US-7763630-B2 pyrimidinone compounds such as N-(4-Fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-2-(tetrahydrofuran-3-yl)-1,6-dihydropyrimidine-4-carboxamide, used for treating human immunodeficiency virus (HIV) and acquired immune deficiency syndrome (AIDS) BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-27 US claimed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP claimed
WO-2008154246-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-18 WO claimed
US-20080306051-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-11 US claimed
EP-1749011-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-29 EP claimed
EP-1948666-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-07-30 EP claimed
WO-2007064619-A1 PYRIMIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 WO claimed
US-20070129379-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 US claimed
WO-2007059125-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO claimed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US claimed
US-20070112190-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US claimed
US-7176196-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US claimed
EP-1749011-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-07 EP claimed
US-7037908-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 US claimed
WO-2005118593-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO claimed
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US claimed
US-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY 2004-11-18 US claimed
WO-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 WO claimed

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-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex DUT, CDK6, TYMS NLRP3 587/4885HRH1 743/4885GAA 1910/4885
US-20070129379-A1 HIV INTEGRASE INHIBITORS TYMP, POLN, IMPDH1 NLRP3 1794/4885HRH1 2824/4885GAA 675/4885
US-20080306051-A1 HIV Integrase Inhibitors TYMP, IMPDH1, UNG NLRP3 2016/4885HRH1 3112/4885GAA 613/4885
US-20070112190-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 NLRP3 1794/4885HRH1 2824/4885GAA 675/4885
US-20070111984-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 NLRP3 1794/4885HRH1 2824/4885GAA 675/4885
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 NLRP3 1418/4885HRH1 2081/4885GAA 1568/4885

“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.