SCHEMBL17377338

SCHEMBL17377338

Oc1ccc(Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.75
SPHK2 Q9NRA0 1/20 0.68
ACHE P22303 1/20 0.55
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FLT1 P17948 3/20 0.49
KDR P35968 3/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KIF11 P52732 1/20 0.49

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
SCHEMBL3530806 0.84 GSK3B (0.64) GSK3BSPHK2ACHEALDH1A1FLT1
SCHEMBL17377353 0.83 GSK3B (1.00) GSK3BACHEKDM4EALDH1A1NPC1
SCHEMBL17377392 0.81 SPHK2 (0.74) GSK3BSPHK2ACHEMEN1NPC1
SCHEMBL19075484 0.81 SPHK2 (0.74) GSK3BSPHK2ACHEKDM4EALDH1A1
SCHEMBL3532271 0.81 SPHK2 (0.74) GSK3BSPHK2ACHEMEN1NPC1
SCHEMBL17377366 0.81 SPHK2 (1.00) GSK3BSPHK2ACHEHDAC6MEN1
SCHEMBL17377349 0.81 GSK3B (0.78) GSK3BSPHK2ACHEKDM4EALDH1A1
SCHEMBL28615859 0.81 GSK3B (0.78) GSK3BSPHK2ACHEKDM4EALDH1A1
SCHEMBL1252178 0.80 GSK3B (0.66) GSK3BSPHK2KDM4EFLT1KDR
SCHEMBL3534350 0.80 SPHK2 (0.56) GSK3BSPHK2ACHEALDH1A1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828351-B2 Enzyme interacting agents MONASH UNIVERSITY (AU) 2017-11-28 US disclosed
US-9828351-B2 Enzyme interacting agents MONASH UNIVERSITY (AU) 2017-11-28 US disclosed
US-20170190698-A1 ENZYME INTERACTING AGENTS CENTRAL ADELAIDE LOCAL HEALTH NETWORK INCORPORATED (AU) 2017-07-06 US disclosed
US-20170190698-A1 ENZYME INTERACTING AGENTS CENTRAL ADELAIDE LOCAL HEALTH NETWORK INCORPORATED (AU) 2017-07-06 US disclosed
EP-3160949-A1 ENZYME INTERACTING AGENTS Monash University (AU) 2017-05-03 EP disclosed
WO-2015196258-A1 ENZYME INTERACTING AGENTS MONASH UNIVERSITY (AU) 2015-12-30 WO disclosed
WO-2015196258-A1 ENZYME INTERACTING AGENTS MONASH UNIVERSITY (AU) 2015-12-30 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-20170190698-A1 ENZYME INTERACTING AGENTS SMPD1, SMPD2, ASAH1 GSK3B 3195/4885SPHK2 155/4885ACHE 430/4885

“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.