SCHEMBL4550677

SCHEMBL4550677

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

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
TRPA1 O75762 1/20 0.32
AKT1 P31749 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL1783529 0.92 AKT1 (0.36) KCNQ4KCNQ5TRPA1AKT1CA12
SCHEMBL21183602 0.80 AKT1 (0.34) KCNQ4KCNQ5TRPA1AKT1CA12
SCHEMBL18106560 0.79 BRD4 (0.37) RAB9A
SCHEMBL4550452 0.79 KDM4E (0.32) KDM4ENPC1MAPTRAB9A
SCHEMBL1781292 0.77 NPC1 (0.46) AKT1KDM4ENPC1MAPTRAB9A
SCHEMBL29329105 0.76 ATR (0.37) KCNQ4KCNQ5TRPA1CA12CA1
SCHEMBL5069652 0.75 AKT1 (0.32) AKT1KDM4ENPC1MAPTRAB9A
SCHEMBL25541945 0.75 RAB9A (0.38) AKT1KDM4ENPC1MAPTRAB9A
SCHEMBL18106503 0.75 CA12 (0.42) CA12CA1CA9
SCHEMBL1783526 0.74 F13A1 (0.33)

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 KCNQ4 4164/4885KCNQ5 3946/4885TRPA1 2090/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R KCNQ4 4164/4885KCNQ5 3946/4885TRPA1 2090/4885

“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.