SCHEMBL1780465

SCHEMBL1780465

CC(=O)c1ccc(N(NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.41
MAPT P10636 6/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
NR1I2 O75469 1/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
HPGD P15428 1/20 0.37
BCL2 P10415 1/20 0.36
BECN1 Q14457 1/20 0.36

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
SCHEMBL1780463 0.90 MAPT (0.43) AKT1MAPTRAB9ANPC1KDM4E
SCHEMBL1784857 0.84 MAPT (0.38) AKT1MAPTRAB9ANPC1KDM4E
SCHEMBL1781295 0.81 RAB9A (0.47) AKT1MAPTRAB9ANPC1KDM4E
SCHEMBL3601365 0.77 PPARG (0.41) AKT1MAPTRAB9ANPC1KDM4E
SCHEMBL4085418 0.75 TDP1 (0.51) AKT1MAPTRAB9ACTSLCTSB
SCHEMBL10565579 0.75 AKT1 (0.49) AKT1MAPTRAB9ANPC1CTSL
SCHEMBL1784855 0.74 MAPT (0.38) AKT1MAPTRAB9ANPC1KDM4E
SCHEMBL28420950 0.74 MIF (0.46) AKT1MAPTRAB9ANPC1KDM4E
SCHEMBL28974600 0.73 MAPT (0.41) AKT1MAPTRAB9ANPC1KDM4E
SCHEMBL21175420 0.73 AKT1 (0.38) AKT1MAPTCTSLCTSBCTSS

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 1016/4885MAPT 2509/4885RAB9A 2207/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R AKT1 1016/4885MAPT 2509/4885RAB9A 2207/4885

“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.