Sugi Predict

Sugi Predict / Compounds / SCHEMBL4078724

SCHEMBL4078724

SCHEMBL4078724

COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.57
▸ KDM4E B2RXH2 10/20 0.57
▸ HSD17B10 Q99714 9/20 0.57
▸ HTT P42858 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ TSHR P16473 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HPGD P15428 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ GUSB P08236 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ PLEC Q15149 1/20 0.46
▸ TAS2R14 Q9NYV8 1/20 0.44
▸ USP2 O75604 1/20 0.44

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
SCHEMBL4070776 0.89 ALDH1A1 (0.71) ALDH1A1KDM4EHSD17B10HTTMAPK1
SCHEMBL5459170 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10HTTMAPK1
SCHEMBL4076652 0.80 KDM4E (0.64) ALDH1A1KDM4EHSD17B10MAPK1TSHR
SCHEMBL4077725 0.80 KDM4E (0.57) ALDH1A1KDM4EHSD17B10HTTMAPK1
SCHEMBL4074172 0.80 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10HTTMAPK1
SCHEMBL4072295 0.79 KDM4E (0.55) ALDH1A1KDM4EHSD17B10HTTMAPK1
SCHEMBL5464839 0.77 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10HTTMAPK1
SCHEMBL5455222 0.76 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10HTTMAPK1
SCHEMBL4070506 0.75 KDM4E (0.56) ALDH1A1KDM4EHSD17B10HTTTSHR
SCHEMBL4077449 0.75 KDM4E (0.62) ALDH1A1KDM4EHSD17B10TSHRMEN1

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 1055/4885KDM4E 2403/4885HSD17B10 1580/4885

“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.