Sugi Predict

Sugi Predict / Compounds / SCHEMBL4073853

SCHEMBL4073853

SCHEMBL4073853

COc1cccc2cc(CN([C@@H]3CCC[C@H]3O)S(=O)(=O)c3ccc4c(c3)OCCN4C)c(=O)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.39
▸ HSD17B10 Q99714 9/20 0.39
▸ KDM4E B2RXH2 7/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KCNA5 P22460 1/20 0.38
▸ HTT P42858 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ GHSR Q92847 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RECQL P46063 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
SCHEMBL4073855 1.00 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4EMAPK1LMNA
SCHEMBL4073849 1.00 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4EMAPK1LMNA
SCHEMBL4069191 0.91 HSD17B10 (0.40) ALDH1A1HSD17B10KDM4EMAPK1LMNA
SCHEMBL4072301 0.91 HSD17B10 (0.40) ALDH1A1HSD17B10KDM4EMAPK1LMNA
SCHEMBL4069194 0.91 HSD17B10 (0.40) ALDH1A1HSD17B10KDM4EMAPK1LMNA
SCHEMBL4076730 0.91 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EMAPK1LMNA
SCHEMBL4076729 0.91 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EMAPK1LMNA
SCHEMBL4076728 0.91 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EMAPK1LMNA
SCHEMBL5452541 0.90 HSD17B10 (0.40) ALDH1A1HSD17B10KDM4EMAPK1LMNA
SCHEMBL5452528 0.90 HSD17B10 (0.40) ALDH1A1HSD17B10KDM4EMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040711-A2 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS Amphora Discovery Corporation (US) 2009-04-01 — — EP claimed
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 — — US claimed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 — — WO claimed
EP-2040711-A2 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS Amphora Discovery Corporation (US) 2009-04-01 — — EP disclosed
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 — — US disclosed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 — — WO 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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof ABCG2, ATP5ME, ATP5MG ALDH1A1 1055/4885HSD17B10 1580/4885KDM4E 2403/4885

“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.