SCHEMBL15077883

SCHEMBL15077883

CCOC(=O)c1c(S(C)(=O)=O)n(C2CC2)c2c(OC)c(N3CC[C@H](C)C3)c(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
POLB P06746 2/20 0.44
PRKD3 O94806 1/20 0.44
ALOX15 P16050 1/20 0.44
OPRM1 P35372 1/20 0.44
CLK2 P49760 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
TOP1 P11387 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL729663 0.89 KCNH2 (0.59) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL729664 0.89 KCNH2 (0.59) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL729608 0.89 KCNH2 (0.45) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL729609 0.89 KCNH2 (0.45) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL15077881 0.89 KCNH2 (0.46) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL729612 0.85 ADRB2 (0.39) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL15078149 0.85 KCNH2 (0.40) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL727962 0.81 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL727961 0.81 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL2675015 0.81 GRK6 (0.36) KCNH2KDM4EALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165471-A1 2-SUBSTITUTED-THIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC. (US) 2013-06-27 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-20130165471-A1 2-SUBSTITUTED-THIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS RECQL, DDX5, QTRT2 KCNH2 1892/4885KDM4E 2305/4885ALDH1A1 2733/4885

“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.