SCHEMBL19680072

SCHEMBL19680072

Cc1cc(S(C)(=O)=O)cc(C)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.36
▸ CA2 P00918 5/20 0.36
▸ CA9 Q16790 5/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ LPL P06858 2/20 0.31
▸ LIPG Q9Y5X9 2/20 0.31
▸ LOX P28300 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ G6PD P11413 1/20 0.30
▸ IDE P14735 1/20 0.30

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
SCHEMBL30414257 0.89 CA1 (0.35) CA1CA2CA9CA12CA3
SCHEMBL26133365 0.89 CA1 (0.35) CA1CA2CA9CA12CA3
SCHEMBL29421539 0.80 G6PD (0.37) CA1CA2CA9CA12CA3
SCHEMBL395845 0.80 G6PD (0.37) CA1CA2CA9CA12CA3
SCHEMBL12205429 0.78 LPL (0.37) CA1CA2CA9CA12CA3
SCHEMBL25203833 0.77 CA1 (0.33) CA1CA2CA9CA12CA3
SCHEMBL3576002 0.77 CA1 (0.40) CA1CA2CA9CA12CA3
SCHEMBL24733131 0.76 LPL (0.42) CA1CA2CA9CA12CA3
SCHEMBL2947811 0.76 G6PD (0.37) CA1CA2CA9CA12CA3
SCHEMBL22442104 0.75 LPL (0.44) LPLLIPGP2RX7

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-20170348312-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-12-07 — — US disclosed
US-20170348312-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-12-07 — — 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-20170348312-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED CA1 3682/4885CA2 3176/4885CA9 4039/4885

“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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