SCHEMBL5547394

SCHEMBL5547394

CCC(COC)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(C)C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.42
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 5/20 0.37
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 2/20 0.37
HSP90AA1 P07900 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 4/20 0.36
NAMPT P43490 1/20 0.35
GAA P10253 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34

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
SCHEMBL5540178 0.87 ALDH1A1 (0.43) CNR2ALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL5545703 0.85 CNR2 (0.36) CNR2ALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL15163490 0.83 CNR2 (0.43) CNR2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5545869 0.82 ALDH1A1 (0.42) CNR2ALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL15163642 0.82 ALDH1A1 (0.44) CNR2ALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL5541238 0.82 CNR2 (0.42) CNR2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5538837 0.81 KDM4E (0.41) CNR2ALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL5547002 0.81 ALDH1A1 (0.43) CNR2ALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL5546984 0.80 CNR2 (0.41) CNR2ALDH1A1HSD17B10LMNAL3MBTL1
SCHEMBL16009542 0.80 CNR2 (0.41) CNR2ALDH1A1SMN1; SMN2MEN1KMT2A

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.