SCHEMBL1386743

SCHEMBL1386743

CCN1CC(C)n2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)nc(C)c32)C1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
PKLR P30613 1/20 0.39
MAPT P10636 1/20 0.36
SLC2A1 P11166 1/20 0.35
CNR2 P34972 6/20 0.33
HTT P42858 3/20 0.33
CNR1 P21554 3/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GRM2 Q14416 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL3981578 0.89 PKM (0.38) PKMPKLRMAPTSLC2A1CNR2
SCHEMBL1384303 0.89 PKM (0.42) PKMPKLRMAPTSLC2A1CNR2
SCHEMBL3982659 0.88 PKM (0.37) PKMPKLRMAPTSLC2A1CNR2
SCHEMBL3985624 0.86 PKM (0.36) PKMPKLRMAPTSLC2A1CNR2
SCHEMBL14680246 0.85 MAPT (0.33) PKMPKLRMAPTCNR2CNR1
SCHEMBL4746418 0.82 CNR2 (0.36) PKMMAPTCNR2HTTCNR1
SCHEMBL3985769 0.81 GRM2 (0.35) GRM2
SCHEMBL13846608 0.80 GRM2 (0.34) GRM2
SCHEMBL3987455 0.80 GRM2 (0.34) GRM2
SCHEMBL13846588 0.79 PKM (0.40) PKMPKLRMAPTSLC2A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP claimed
JP-4824673-B2 2011-11-30 JP claimed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-A2 HIV INTEGRASE INHIBITORS Merck and Co., Inc. (US) 2007-02-28 EP claimed
WO-2005110414-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-11-24 WO claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP PKM 1268/4885PKLR 519/4885MAPT 3743/4885

“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.