SCHEMBL17595115

SCHEMBL17595115

CC(C)(C)OC(=O)N(CCCC(O)c1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.49
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
RIPK1 Q13546 1/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
AKT1 P31749 2/20 0.41
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL19294226 0.88 HDAC1 (0.46) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL27375260 0.86 RIPK1 (0.47) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL24323598 0.86 BACE1 (0.62) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL29059512 0.86 BACE1 (0.62) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL8525848 0.84 HDAC3 (0.56) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL8021840 0.83 HDAC3 (0.55) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL1848202 0.83 HDAC1 (0.52) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL17595109 0.82 REN (0.47) HDAC3HDAC1HDAC2NCOR2RIPK1
SCHEMBL5737640 0.82 HDAC1 (0.54) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL8089460 0.82 HDAC3 (0.51) BACE1HDAC3HDAC1HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981879-B2 Thioether triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-20 US disclosed
US-10981879-B2 Thioether triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-20 US disclosed
US-20190031623-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-31 US disclosed
US-20190031623-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-31 US disclosed
EP-3191486-B1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2018-08-01 EP disclosed
EP-3191486-B1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2018-08-01 EP disclosed
US-20170247343-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-31 US disclosed
US-20170247343-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-31 US disclosed
US-20170247343-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-31 US disclosed
EP-3191486-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRMIDINE INHIBITORS OF MYELOPEROXIDASE Bristol-Myers Squibb Company (US) 2017-07-19 EP disclosed
WO-2016040419-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 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 (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-20190031623-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 BACE1 2674/4885HDAC3 802/4885HDAC1 415/4885
US-20170247343-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 BACE1 2674/4885HDAC3 802/4885HDAC1 415/4885
US-10981879-B2 Thioether triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 BACE1 2674/4885HDAC3 802/4885HDAC1 415/4885

“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.