SCHEMBL14893391

SCHEMBL14893391

Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)c2ccccc2CO)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
CYP3A4 P08684 1/20 0.63
HSD17B10 Q99714 1/20 0.63
ROCK1 Q13464 1/20 0.55
F10 P00742 11/20 0.54
F2 P00734 8/20 0.54
TRPV1 Q8NER1 1/20 0.53
POLB P06746 1/20 0.52
PRSS1 P07477 4/20 0.48
PRSS2 P07478 4/20 0.48
PRSS3 P35030 4/20 0.48
CARM1 Q86X55 1/20 0.46
BCL2L1 Q07817 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL16208835 0.87 ALDH1A1 (0.63) ALDH1A1CYP3A4HSD17B10ROCK1F10
SCHEMBL14893291 0.86 ALDH1A1 (0.62) ALDH1A1CYP3A4HSD17B10ROCK1F10
SCHEMBL14893444 0.86 ALDH1A1 (0.62) ALDH1A1CYP3A4HSD17B10ROCK1F10
SCHEMBL14893308 0.85 CYP3A4 (0.69) ALDH1A1CYP3A4HSD17B10ROCK1F10
SCHEMBL14895679 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4HSD17B10ROCK1F10
SCHEMBL14893283 0.85 ALDH1A1 (0.54) ALDH1A1CYP3A4HSD17B10ROCK1F10
SCHEMBL14893375 0.84 ALDH1A1 (0.60) ALDH1A1CYP3A4HSD17B10ROCK1F10
SCHEMBL14893280 0.84 ALDH1A1 (0.54) ALDH1A1CYP3A4HSD17B10ROCK1F10
SCHEMBL14893340 0.83 ALDH1A1 (0.59) ALDH1A1CYP3A4HSD17B10ROCK1F10
SCHEMBL16208841 0.83 ALDH1A1 (0.59) ALDH1A1CYP3A4HSD17B10ROCK1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676727-B2 Myxovirus therapeutics, compounds, and uses related thereto EMORY UNIVERSITY (US) 2017-06-13 US disclosed
EP-2771324-B1 MYXOVIRUS THERAPEUTICS, COMPOUNDS, AND USES RELATED THERETO UNIV EMORY (US) 2017-02-01 EP disclosed
EP-2771324-B1 MYXOVIRUS THERAPEUTICS, COMPOUNDS, AND USES RELATED THERETO UNIV EMORY (US) 2017-02-01 EP disclosed
US-9499489-B2 Myxovirus therapeutics, compounds, and uses related thereto EMORY UNIVERSITY (US) 2016-11-22 US disclosed
US-9499489-B2 Myxovirus therapeutics, compounds, and uses related thereto EMORY UNIVERSITY (US) 2016-11-22 US disclosed
US-20160310511-A1 Myxovirus Therapeutics, Compounds, and Uses Related Thereto UNIV EMORY (US) 2016-10-27 US disclosed
US-20140329817-A1 MYXOVIRUS THERAPEUTICS, COMPOUNDS, AND USES RELATED THERETO CHILDREN'S HEATLHCARE OF ATLANTA, INC. (US) 2014-11-06 US disclosed
US-20140329817-A1 MYXOVIRUS THERAPEUTICS, COMPOUNDS, AND USES RELATED THERETO CHILDREN'S HEATLHCARE OF ATLANTA, INC. (US) 2014-11-06 US disclosed
EP-2771324-A1 MYXOVIRUS THERAPEUTICS, COMPOUNDS, AND USES RELATED THERETO Emory University (US) 2014-09-03 EP disclosed
WO-2013063012-A1 MYXOVIRUS THERAPEUTICS, COMPOUNDS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2013-05-02 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 (2 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-20140329817-A1 MYXOVIRUS THERAPEUTICS, COMPOUNDS, AND USES RELATED THERETO RPP30, RNASE1, MAVS ALDH1A1 1520/4885CYP3A4 2823/4885HSD17B10 2078/4885
US-20160310511-A1 Myxovirus Therapeutics, Compounds, and Uses Related Thereto RPP30, MAVS, CXCL10 ALDH1A1 1827/4885CYP3A4 2867/4885HSD17B10 2097/4885

“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.