SCHEMBL3858652

SCHEMBL3858652

CC(C)(C)OC(=O)N(CC(=O)O)Cc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.39
SSTR4 P31391 1/20 0.39
AKT1 P31749 2/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
FOLH1 Q04609 1/20 0.37
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
CHRM2 P08172 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
SCHEMBL2834319 0.87 HDAC3 (0.55) HDAC3HDAC1HDAC2NCOR2CTSS
SCHEMBL2897902 0.86 HDAC3 (0.46) HDAC3HDAC1HDAC2NCOR2CTSS
SCHEMBL12894955 0.84 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2CTSS
SCHEMBL17393769 0.83 HDAC1 (0.49) HDAC3HDAC1HDAC2NCOR2CTSS
SCHEMBL3857903 0.82 HDAC3 (0.50) HDAC3HDAC1HDAC2NCOR2CTSS
SCHEMBL27871905 0.82 SSTR4 (0.44) HDAC3HDAC1HDAC2NCOR2CTSS
SCHEMBL13708399 0.81 HDAC1 (0.52) HDAC3HDAC1HDAC2NCOR2CTSS
SCHEMBL13166745 0.81 HDAC1 (0.45) HDAC3HDAC1HDAC2NCOR2CTSS
SCHEMBL12062379 0.81 HDAC1 (0.47) HDAC3HDAC1HDAC2NCOR2SSTR4
SCHEMBL18618160 0.80 HDAC3 (0.43) HDAC3HDAC1HDAC2NCOR2SSTR4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
EP-1971582-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-09-24 EP disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 WO disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 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-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 HDAC3 449/4885HDAC1 242/4885HDAC2 324/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 HDAC3 449/4885HDAC1 242/4885HDAC2 324/4885
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 HDAC3 408/4885HDAC1 663/4885HDAC2 1313/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 HDAC3 408/4885HDAC1 663/4885HDAC2 1313/4885

“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.