SCHEMBL14768759

SCHEMBL14768759

Cc1ccc2nc(-c3ccc4nc(-c5ccc(NC(=O)c6cc(F)ccc6C(F)(F)F)cc5)sc4c3)sc2c1S(=O)(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 3/20 0.48
HPGD P15428 3/20 0.48
GLA P06280 2/20 0.48
CYP3A4 P08684 1/20 0.48
NT5E P21589 1/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 6/20 0.47
APP P05067 4/20 0.46
RORC P51449 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 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
SCHEMBL14768829 0.90 MAPT (0.54) TP53SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL14768618 0.88 MAPT (0.50) TP53SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL14768676 0.87 SMN1; SMN2 (0.48) TP53SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL14768681 0.86 ALDH1A1 (0.54) TP53SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL14768760 0.86 TP53 (0.48) TP53SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL14768638 0.85 TP53 (0.48) TP53SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL14768770 0.85 ALDH1A1 (0.57) TP53SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL15940381 0.84 TP53 (0.52) TP53SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL14768718 0.84 ALDH1A1 (0.48) TP53SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL14768738 0.84 ALDH1A1 (0.52) TP53SMN1; SMN2ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US claimed
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US claimed
US-9464064-B2 HCV helicase inhibitors and methods of use thereof UNIVERSITY OF KANSAS (US) 2016-10-11 US disclosed
US-9464064-B2 HCV helicase inhibitors and methods of use thereof UNIVERSITY OF KANSAS (US) 2016-10-11 US disclosed
US-9464064-B2 HCV helicase inhibitors and methods of use thereof UNIVERSITY OF KANSAS (US) 2016-10-11 US disclosed
US-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof UWM RESEARCH FOUNDATION, INC. (US) 2014-08-14 US disclosed
US-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof UWM RESEARCH FOUNDATION, INC. (US) 2014-08-14 US disclosed
US-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof UWM RESEARCH FOUNDATION, INC. (US) 2014-08-14 US disclosed
WO-2013036749-A1 HCV HELICASE INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF KANSAS (US) 2013-03-14 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-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof DHX15, DDX5, DHX35 TP53 446/4885SMN1; SMN2 3980/4885ALDH1A1 1138/4885
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 TP53 4004/4885SMN1; SMN2 4432/4885ALDH1A1 73/4885

“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.