SCHEMBL14768602

SCHEMBL14768602

Cc1ccc2nc(-c3ccc4nc(-c5ccc(NC(=O)c6cccc(C(F)(F)F)c6)cc5)sc4c3)sc2c1S(=O)(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
NT5E P21589 1/20 0.49
CASP1 P29466 1/20 0.49
RECQL P46063 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
LCK P06239 2/20 0.47
KDR P35968 2/20 0.47
JAK3 P52333 2/20 0.47
MAPK14 Q16539 2/20 0.47
TEK Q02763 1/20 0.47
MAPT P10636 4/20 0.47

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
SCHEMBL14768738 0.93 ALDH1A1 (0.52) TP53ALDH1A1GAASMN1; SMN2GLA
SCHEMBL15940381 0.92 TP53 (0.52) TP53ALDH1A1GAASMN1; SMN2GLA
SCHEMBL15946365 0.90 ALDH1A1 (0.49) TP53ALDH1A1GAASMN1; SMN2GLA
SCHEMBL14768718 0.90 ALDH1A1 (0.48) TP53ALDH1A1GAASMN1; SMN2GLA
SCHEMBL14768613 0.88 ALDH1A1 (0.52) TP53ALDH1A1GAASMN1; SMN2GLA
SCHEMBL15939872 0.88 MMP2 (0.60) TP53ALDH1A1GAASMN1; SMN2GLA
SCHEMBL14768745 0.87 ALDH1A1 (0.54) TP53ALDH1A1GAASMN1; SMN2GLA
SCHEMBL14768760 0.86 TP53 (0.48) TP53ALDH1A1GAASMN1; SMN2GLA
SCHEMBL14768676 0.86 SMN1; SMN2 (0.48) TP53ALDH1A1GAASMN1; SMN2GLA
SCHEMBL15946346 0.86 TP53 (0.58) TP53ALDH1A1GAASMN1; SMN2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof DHX15, DDX5, DHX35 TP53 446/4885ALDH1A1 1138/4885GAA 999/4885

“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.