Sugi Predict

Sugi Predict / Compounds / SCHEMBL5540802

SCHEMBL5540802

SCHEMBL5540802

COCCCn1c(=O)c(C(=O)N[C@@H](C)CO)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37

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
SCHEMBL5538941 1.00 CNR2 (0.42) CNR2ALDH1A1KDM4EHSD17B10APAF1
SCHEMBL5540538 0.93 CNR2 (0.46) CNR2ALDH1A1HSD17B10L3MBTL1POLB
SCHEMBL5545286 0.89 CNR2 (0.44) CNR2ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL5540948 0.89 L3MBTL1 (0.39) CNR2ALDH1A1KDM4EMAPTHPGD
SCHEMBL5548090 0.88 L3MBTL1 (0.42) CNR2ALDH1A1KDM4EUSP2LMNA
SCHEMBL5545864 0.88 L3MBTL1 (0.47) CNR2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5538524 0.88 L3MBTL1 (0.47) CNR2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5541030 0.88 L3MBTL1 (0.47) CNR2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5540696 0.88 CNR2 (0.41) CNR2ALDH1A1KDM4EUSP2LMNA
SCHEMBL5547213 0.88 CNR2 (0.43) CNR2ALDH1A1KDM4EHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 — — US claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 — — EP claimed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 — — US claimed
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 3812/4885KDM4E 1268/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885ALDH1A1 3073/4885KDM4E 1255/4885

“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.