SCHEMBL18616633

SCHEMBL18616633

CC(C)(C)OC(=O)N1CCCC1c1cccc(Oc2cccc(CO)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RIPK1 Q13546 2/20 0.46
▸ PARP14 Q460N5 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ FKBP1A P62942 1/20 0.42
▸ TMEM97 Q5BJF2 3/20 0.41
▸ SIGMAR1 Q99720 3/20 0.41
▸ CCR8 P51685 1/20 0.41
▸ NR1H2 P55055 2/20 0.41
▸ NR1H3 Q13133 2/20 0.41
▸ RXRA P19793 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GHSR Q92847 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL8223030 0.91 RIPK1 (0.51) MAPTNPSR1RIPK1ALDH1A1LMNA
SCHEMBL20658826 0.86 PARP14 (0.47) RIPK1PARP14PARP10TMEM97SIGMAR1
SCHEMBL18617417 0.82 BCL9 (0.48) MAPTKDM4E
SCHEMBL18616624 0.80 CHRNB4 (0.49) MAPTNPSR1
SCHEMBL18616623 0.80 CHRNB4 (0.49) MAPTNPSR1
SCHEMBL14494012 0.80 MAPT (0.48) MAPTNPSR1RIPK1ALDH1A1LMNA
SCHEMBL14494009 0.80 MAPT (0.48) MAPTNPSR1RIPK1ALDH1A1LMNA
SCHEMBL8219700 0.80 MAPT (0.48) MAPTNPSR1RIPK1ALDH1A1LMNA
SCHEMBL1653816 0.80 RIPK1 (0.49) MAPTNPSR1RIPK1ALDH1A1LMNA
SCHEMBL15447585 0.79 TMEM97 (0.51) MAPTNPSR1RIPK1ALDH1A1LMNA

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-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

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-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MAPT 4399/4885NPSR1 1892/4885RIPK1 4605/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 MAPT 4399/4885NPSR1 1892/4885RIPK1 4605/4885

“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.

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