SCHEMBL5540833

SCHEMBL5540833

COCC(C)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCCS(=O)(=O)N2CCCC2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.37
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
DGAT2 Q96PD7 1/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ROCK2 O75116 1/20 0.31
NAMPT P43490 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
SCHEMBL5545413 0.91 L3MBTL1 (0.36) CNR2KDM4EL3MBTL1LMNAPOLB
SCHEMBL5547031 0.85 CNR2 (0.39) CNR2ALDH1A1HSD17B10DGAT2L3MBTL1
SCHEMBL5541238 0.85 CNR2 (0.42) CNR2ALDH1A1HSD17B10DGAT2HTT
SCHEMBL16009908 0.84 CNR2 (0.40) CNR2ALDH1A1HSD17B10DGAT2HTT
SCHEMBL5538848 0.84 L3MBTL1 (0.35) CNR2KDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL5539217 0.84 CNR2 (0.40) CNR2ALDH1A1HSD17B10HTTKDM4E
SCHEMBL5546638 0.84 CNR2 (0.40) CNR2ALDH1A1DGAT2HTTKDM4E
SCHEMBL5547285 0.84 CNR2 (0.39) CNR2ALDH1A1HSD17B10L3MBTL1SMN1; SMN2
SCHEMBL5540805 0.84 CNR2 (0.39) CNR2ALDH1A1HSD17B10NAMPT
SCHEMBL5541127 0.84 KDM4E (0.41) ALDH1A1HTTKDM4ELMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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 (2 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 CNR2 3954/4885ALDH1A1 3812/4885HSD17B10 2218/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885ALDH1A1 3073/4885HSD17B10 1401/4885

“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.