SCHEMBL4075216

SCHEMBL4075216

Cc1ccc2cc(CN(CCCO)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2c1C

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 10/20 0.71
ALDH1A1 P00352 12/20 0.67
KDM4E B2RXH2 11/20 0.67
MAPK1 P28482 5/20 0.67
GAA P10253 2/20 0.60
POLB P06746 1/20 0.59
LMNA P02545 4/20 0.59
MAPT P10636 3/20 0.59
USP2 O75604 2/20 0.55
HTT P42858 1/20 0.55
HPGD P15428 4/20 0.55
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL4072329 0.96 ALDH1A1 (0.73) HSD17B10ALDH1A1KDM4EMAPK1GAA
SCHEMBL4071643 0.90 KDM4E (0.73) HSD17B10ALDH1A1KDM4EMAPK1GAA
SCHEMBL4069196 0.81 HSD17B10 (0.56) HSD17B10ALDH1A1KDM4EMAPK1GAA
SCHEMBL4070804 0.79 KDM4E (0.92) HSD17B10ALDH1A1KDM4EGAAPOLB
SCHEMBL4076583 0.79 HSD17B10 (0.54) HSD17B10ALDH1A1KDM4EMAPK1GAA
SCHEMBL5449313 0.78 KDM4E (0.58) HSD17B10ALDH1A1KDM4EMAPK1GAA
SCHEMBL4081440 0.76 KDM4E (0.57) HSD17B10ALDH1A1KDM4EMAPK1GAA
SCHEMBL4073861 0.75 POLB (0.79) HSD17B10ALDH1A1KDM4EMAPK1GAA
SCHEMBL5453521 0.74 POLB (0.78) HSD17B10ALDH1A1KDM4EMAPK1GAA
SCHEMBL4078012 0.74 ALDH1A1 (0.73) HSD17B10ALDH1A1KDM4EMAPK1GAA

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 HSD17B10 1580/4885ALDH1A1 1055/4885KDM4E 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.