SCHEMBL20139620

SCHEMBL20139620

CC(C)(C)OC(=O)n1cc2cc(O)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.42
HTR6 P50406 1/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KDM1A O60341 2/20 0.33
SCD O00767 1/20 0.33
MAP4K4 O95819 1/20 0.33
NQO2 P16083 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
BCHE P06276 1/20 0.33
SSTR4 P31391 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL20336720 0.85 ROCK2 (0.37) ESR2HTR6MEN1KMT2ANPC1
SCHEMBL30886888 0.84 HDAC8 (0.39) NPC1RAB9ASCDL3MBTL1GABRA1
SCHEMBL6891951 0.81 MEN1 (0.43) MEN1KMT2ANPC1GAARAB9A
SCHEMBL18344997 0.79 CA12 (0.42) MEN1KMT2ANPC1RAB9ASCD
SCHEMBL4166121 0.76 BACE1 (0.40) MEN1KMT2ANPC1RAB9ASCD
SCHEMBL2004356 0.75 LMNA (0.37) MEN1KMT2ASCDROCK2
SCHEMBL19330669 0.75 ESR2 (0.41) ESR2KDM1ASSTR4
SCHEMBL24874054 0.74 ENPP2 (0.33) MEN1KMT2ASCDHSP90AA1HSP90AB1
SCHEMBL16834458 0.74 HSP90AA1 (0.38) MEN1KMT2ANPC1GAARAB9A
SCHEMBL17965623 0.73 ESR2 (0.46) ESR2HTR6MEN1KMT2AKDM1A

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
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 US disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
EP-3538519-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO 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 (4 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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 ESR2 508/4885HTR6 3930/4885MEN1 2634/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 ESR2 508/4885HTR6 3930/4885MEN1 2634/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV ESR2 548/4885HTR6 3697/4885MEN1 2815/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 ESR2 508/4885HTR6 3930/4885MEN1 2634/4885

“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.