SCHEMBL4077843

SCHEMBL4077843

COc1ccc(OC)c(S(=O)(=O)N(CCCO)Cc2cc3cccc(C)c3[nH]c2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.55
ALDH1A1 P00352 8/20 0.54
HSD17B10 Q99714 7/20 0.54
HPGD P15428 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 2/20 0.53
KMT2A Q03164 1/20 0.52
LMNA P02545 3/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.48
THRB P10828 1/20 0.48
ATM Q13315 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL4074094 0.87 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL4078112 0.86 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL4078117 0.86 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL4070694 0.80 KDM4E (0.64) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL4071631 0.80 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL4076783 0.80 KDM4E (0.74) KDM4EALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL4076807 0.80 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL4074624 0.79 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL4074603 0.78 MAPK1 (0.64) KDM4EALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL4079815 0.78 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDGAA

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
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
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 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 (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 KDM4E 2403/4885ALDH1A1 1055/4885HSD17B10 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.