SCHEMBL17489872

SCHEMBL17489872

O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCOCCOCCOCCNC(=O)c1ccc(Nc2nccc(Nc3ccc(OC(F)(F)F)cc3)n2)c(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LY6K Q17RY6 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.51
PKM P14618 2/20 0.47
MAPK3 P27361 4/20 0.47
EGFR P00533 2/20 0.46
ITK Q08881 2/20 0.46
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
TPSAB1 Q15661 1/20 0.45
MAP3K7 O43318 1/20 0.44
NSD2 O96028 1/20 0.44
NSD3 Q9BZ95 1/20 0.44
FOLH1 Q04609 4/20 0.44
SORT1 Q99523 1/20 0.43
GBA1 P04062 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
SCHEMBL17489871 0.89 MAPK3 (0.58) LY6KL3MBTL3PKMMAPK3EGFR
SCHEMBL23685817 0.81 ABL1 (0.56) LY6KL3MBTL3PKMEGFRITK
SCHEMBL17489625 0.81 SORT1 (0.50) LY6KL3MBTL3PKMEGFRITK
SCHEMBL17489869 0.80 MAP3K7 (0.48) LY6KL3MBTL3PKMMAPK3EGFR
SCHEMBL31636047 0.72 F2 (0.57) LY6KL3MBTL3PKMF2PRSS1
SCHEMBL23880018 0.72 PKM (0.63) LY6KL3MBTL3PKMF2PRSS1
SCHEMBL19326744 0.72 FOLH1 (0.56) LY6KL3MBTL3PKMF2PRSS1
SCHEMBL31529652 0.71 PKM (0.61) LY6KL3MBTL3PKMF2PRSS1
SCHEMBL15216220 0.71 F2 (0.73) PKMF2PRSS1PRSS2PRSS3
SCHEMBL19751698 0.71 F2 (0.73) PKMF2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031826-A1 Substituted Heterocyclic Compounds for Treating or Preventing Viral Infections PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-02-04 US 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-20160031826-A1 Substituted Heterocyclic Compounds for Treating or Preventing Viral Infections HAVCR2, DDX5, DPYD LY6K 2675/4885L3MBTL3 2931/4885PKM 2637/4885

“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.