SCHEMBL16134496

SCHEMBL16134496

O=S(=O)(O)c1nc2cc(F)c(F)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ CBFB Q13951 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ EGLN1 Q9GZT9 4/20 0.40
▸ F10 P00742 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ HDAC11 Q96DB2 1/20 0.37
▸ CYP11B2 P19099 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ HDAC6 Q9UBN7 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
SCHEMBL16134619 0.87 GAA (0.51) HSD17B10GAAL3MBTL1ALDH1A1EGLN1
SCHEMBL16134491 0.79 L3MBTL1 (0.60) HSD17B10GAAL3MBTL1KDM4EALDH1A1
SCHEMBL8185211 0.79 GAA (0.57) HSD17B10GAAL3MBTL1EGLN1F10
SCHEMBL16134521 0.79 HSD17B10 (0.66) HSD17B10GAAL3MBTL1CBFBKDM4E
SCHEMBL16134525 0.77 GAA (0.64) HSD17B10GAAL3MBTL1KDM4EALDH1A1
SCHEMBL16134522 0.77 L3MBTL1 (0.67) HSD17B10GAAL3MBTL1KDM4EALDH1A1
SCHEMBL16134722 0.77 L3MBTL1 (0.43) HSD17B10GAAL3MBTL1CBFBKDM4E
SCHEMBL16134467 0.77 L3MBTL1 (0.43) HSD17B10GAAL3MBTL1CBFBKDM4E
SCHEMBL16134520 0.75 GAA (0.53) HSD17B10GAAL3MBTL1KDM4EALDH1A1
SCHEMBL16134469 0.75 GAA (0.56) HSD17B10GAAL3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-04-28 — — US disclosed
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-04-28 — — US disclosed
WO-2014160405-A1 COMPOUNDS, COMPOSITIONS COMPRISING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2014-10-02 — — 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-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO LPO, NOTUM, FARS2 HSD17B10 1254/4885GAA 203/4885L3MBTL1 4609/4885

“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.

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