SCHEMBL20671970

SCHEMBL20671970

CC(C)(C)CCc1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ F11 P03951 1/20 0.47
▸ AR P10275 1/20 0.46
▸ POLB P06746 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA13 Q8N1Q1 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ SLC6A2 P23975 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
SCHEMBL21024968 0.84 CA12 (0.54) CA12CA9F11ARPOLB
SCHEMBL764001 0.78 CA12 (0.59) CA12CA9F11ARPOLB
SCHEMBL6194384 0.78 CA12 (0.51) CA12CA9F11ARPOLB
SCHEMBL17505185 0.76 CA12 (0.49) CA12CA9F11ARPOLB
SCHEMBL13967025 0.76 HDAC1 (0.47) MAPTSLC6A2SLC6A3
SCHEMBL8860929 0.75 F11 (0.51) CA12CA9F11ARPOLB
SCHEMBL19376174 0.75 CA12 (0.55) CA12CA9F11ARPOLB
SCHEMBL15230239 0.75 CA12 (0.55) CA12CA9F11ARPOLB
SCHEMBL30636806 0.75 CA12 (0.55) CA12CA9F11ARPOLB
SCHEMBL16044071 0.75 F11 (0.59) CA12CA9F11ARPOLB

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 CA12 3467/4885CA9 1405/4885F11 1030/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 CA12 3467/4885CA9 1405/4885F11 1030/4885

“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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