SCHEMBL20671959

SCHEMBL20671959

CC(C)(C)Cc1cccc(OCCC2CCc3ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ PPARD Q03181 4/20 0.43
▸ HTR6 P50406 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 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
SCHEMBL20672040 0.88 HTR6 (0.42) PPARDHTR6BCHE
SCHEMBL18617533 0.87 PPARD (0.47) S1PR1S1PR3PPARDNQO2MTNR1A
SCHEMBL18618135 0.84 PPARD (0.48) S1PR1S1PR3PPARDHTR6NQO2
SCHEMBL18616751 0.75 S1PR1 (0.49) S1PR1S1PR3PPARDNQO2MTNR1A
SCHEMBL18617329 0.74 PPARD (0.44) PPARDHTR6
SCHEMBL10224056 0.74 GGPS1 (0.46) BCHE
SCHEMBL13865091 0.72 ROCK1 (0.49) —
SCHEMBL12866793 0.72 GGPS1 (0.50) —
SCHEMBL18616585 0.72 PPARD (0.44) PPARDHTR6
SCHEMBL13865089 0.71 ROCK1 (0.47) —

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 2 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

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 S1PR1 2253/4885S1PR3 2123/4885PPARD 575/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 S1PR1 2253/4885S1PR3 2123/4885PPARD 575/4885

“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.

Send feedback