SCHEMBL537485

SCHEMBL537485

CCOC(=O)c1c(S)n(C2CC2)c2c(OC(F)F)c(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PRKD3 O94806 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
OPRM1 P35372 1/20 0.37
CLK2 P49760 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
CDK2 P24941 3/20 0.35
CCNA2 P20248 2/20 0.35
CCND2 P30279 2/20 0.35
CCND3 P30281 2/20 0.35
CCNA1 P78396 1/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL2676613 0.88 KCNH2 (0.38) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL4294692 0.85 ADRB2 (0.39) KCNH2KDM4EALDH1A1HPGDALOX15
SCHEMBL730050 0.85 KCNH2 (0.39) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL730051 0.85 KCNH2 (0.39) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL15077881 0.79 KCNH2 (0.46) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL728211 0.78 KCNH2 (0.60) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL728212 0.78 KCNH2 (0.60) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL9217647 0.78 STAT3 (0.43) KDM4EALDH1A1HPGDALOX15HSD17B10
SCHEMBL536999 0.77 ADRB2 (0.40) KCNH2POLB
SCHEMBL728232 0.76 KCNH2 (0.46) KCNH2POLBKDM4EPRKD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414368-B1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2013-11-27 EP disclosed
US-8173636-B2 Hydroxylthienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
US-8173636-B2 Hydroxylthienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
EP-2414368-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2012-02-08 EP disclosed
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
WO-2010115184-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 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-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS RECQL, QTRT2, DHX35 KCNH2 2021/4885POLB 1071/4885KDM4E 2296/4885

“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.