SCHEMBL1783529

SCHEMBL1783529

CC(C)(C)OC(=O)NN(C(=O)O)c1cc(F)c(C=O)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.36
KCNQ4 P56696 2/20 0.33
KCNQ5 Q9NR82 2/20 0.33
TRPA1 O75762 1/20 0.33
CTSS P25774 3/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
MAPT P10636 2/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
AAK1 Q2M2I8 2/20 0.31
MIF P14174 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL4550677 0.92 KCNQ4 (0.32) AKT1KCNQ4KCNQ5TRPA1CA12
SCHEMBL21175420 0.78 AKT1 (0.38) AKT1KCNQ4KCNQ5TRPA1CTSS
SCHEMBL1781295 0.77 RAB9A (0.47) AKT1KCNQ4KCNQ5CTSSCTSL
SCHEMBL18106503 0.77 CA12 (0.42) CA12CA1CA9
SCHEMBL18106560 0.75 BRD4 (0.37) RAB9A
SCHEMBL18578805 0.73 GRM2 (0.43) CA12CA1CA2CA9CA7
SCHEMBL1780780 0.72 AKT1 (0.36) AKT1KCNQ4KCNQ5CTSSCTSL
SCHEMBL4550452 0.71 KDM4E (0.32) MAPTKDM4ENPC1RAB9A
SCHEMBL603151 0.71 CA12 (0.40) TRPA1CA12CA1CA2CA9
SCHEMBL21183602 0.70 AKT1 (0.34) AKT1KCNQ4KCNQ5TRPA1CTSS

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 AKT1 1016/4885KCNQ4 4164/4885KCNQ5 3946/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R AKT1 1016/4885KCNQ4 4164/4885KCNQ5 3946/4885

“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.