SCHEMBL1786013

SCHEMBL1786013

CC(C)(C)OC(=O)NN(C(=O)O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
CETP P11597 4/20 0.39
AKT1 P31749 2/20 0.39
KAT6A Q92794 1/20 0.39
MAPK14 Q16539 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1786011 0.93 KCNQ3 (0.40) KCNQ3KCNQ2HDAC8TAS1R3TAS1R1
SCHEMBL1426134 0.77 CETP (0.43) HDAC8CETPNPC1RAB9A
SCHEMBL14108128 0.76 EPHX2 (0.41) KCNQ3KCNQ2AKT1
SCHEMBL27833511 0.76 NPC1 (0.55) NPC1RAB9A
SCHEMBL29991055 0.76 NPC1 (0.55) NPC1RAB9A
SCHEMBL1785916 0.75 MEN1 (0.44) NPC1RAB9A
SCHEMBL7578637 0.74 MTNR1A (0.46) NPC1RAB9A
SCHEMBL14300683 0.74 KAT6A (0.47) HDAC8CETPKAT6AMAPK14
SCHEMBL27721942 0.73 GRM2 (0.47) HDAC8CETPKDM5AKDM4CKDM5B
SCHEMBL18526150 0.73 MAPK14 (0.58) MAPK14KDM5AKDM4CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 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 (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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R KCNQ3 3904/4885KCNQ2 3774/4885HDAC8 1131/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R KCNQ3 3904/4885KCNQ2 3774/4885HDAC8 1131/4885

“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.