SCHEMBL13584620

SCHEMBL13584620

CC(C)(C)OC(=O)N1CC(CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C(F)(F)F)C1.CC(C)(C)OC(=O)N1CC(CCOc2ccc(Br)cc2C(F)(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.41
▸ AAK1 Q2M2I8 2/20 0.37
▸ GPR119 Q8TDV5 5/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ S1PR4 O95977 1/20 0.34
▸ RORC P51449 2/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ LIPE Q05469 1/20 0.33

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
SCHEMBL2146825 0.95 USP30 (0.44) USP30AAK1GPR119SCN9ACTSS
SCHEMBL2154224 0.88 USP30 (0.44) USP30GPR119SCN9AS1PR4CTSS
SCHEMBL2146881 0.88 USP30 (0.47) USP30AAK1GPR119SCN9ACTSS
SCHEMBL2146770 0.80 SCN9A (0.52) GPR119SCN9ACTSSCTSK
SCHEMBL16520143 0.80 USP30 (0.48) USP30AAK1GPR119
SCHEMBL13642453 0.76 USP30 (0.49) USP30AAK1GPR119SCN9A
SCHEMBL20893538 0.76 USP30 (0.47) USP30AAK1GPR119SCN9ABACE1
SCHEMBL2146758 0.76 S1PR4 (0.43) S1PR4CTSSCTSK
SCHEMBL16520033 0.75 SYK (0.40) CTSSCTSK
SCHEMBL15600400 0.74 CTSS (0.47) CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD OSS B.V. (NL) 2012-11-08 — — 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 (1 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-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES CTSS, CTSV, CTSZ USP30 1503/4885AAK1 2097/4885GPR119 1194/4885

“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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