SCHEMBL2240108

SCHEMBL2240108

CC[Si](CC)(CC)OCCN(C[C@H](O)c1cccc(N)c1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.43
AOC3 Q16853 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CPN1 P15169 1/20 0.32
CPB2 Q96IY4 1/20 0.32
ADRB3 P13945 2/20 0.32
AURKA O14965 2/20 0.32
RPS6KB1 P23443 2/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL177002 0.86 CPN1 (0.38) BACE1AOC3L3MBTL1ALOX5MEN1
SCHEMBL2240112 0.79 SSTR4 (0.37) BACE1CPN1CPB2ADRB3AURKA
SCHEMBL2240105 0.79 SSTR4 (0.37) BACE1CPN1CPB2ADRB3AURKA
SCHEMBL16824910 0.77 AOC3 (0.43) BACE1AOC3L3MBTL1MEN1KMT2A
SCHEMBL7120679 0.73 ADRB3 (0.43) BACE1ADRB3ADRB2ADRB1
SCHEMBL7120686 0.73 ADRB3 (0.43) BACE1ADRB3ADRB2ADRB1
SCHEMBL7694265 0.71 ADRB3 (0.46) BACE1AOC3MEN1KMT2AADRB3
SCHEMBL7122416 0.71 ADRB3 (0.46) BACE1AOC3MEN1KMT2AADRB3
SCHEMBL7122412 0.71 ADRB3 (0.46) BACE1AOC3MEN1KMT2AADRB3
SCHEMBL1625898 0.70 BACE1 (0.47) BACE1AOC3MEN1KMT2AKDM4E

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-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
EP-2484668-A1 INDAZOLE ANALOGUE Asahi Kasei Pharma Corporation (JP) 2012-08-08 EP disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
EP-2351742-A1 INDAZOLE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2011-08-03 EP disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 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 (3 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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 BACE1 1152/4885AOC3 973/4885L3MBTL1 3039/4885
US-20100152265-A1 INDAZOLE DERIVATIVES ADRB3, INSR, ADRB1 BACE1 257/4885AOC3 498/4885L3MBTL1 2944/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A BACE1 413/4885AOC3 722/4885L3MBTL1 1843/4885

“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.