SCHEMBL14806740

SCHEMBL14806740

C#CCOC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.60
▸ CA1 P00915 16/20 0.60
▸ CA2 P00918 16/20 0.60
▸ CA12 O43570 7/20 0.60
▸ USP2 O75604 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ CA14 Q9ULX7 3/20 0.57
▸ CA7 P43166 2/20 0.56
▸ DNASE1L3 Q13609 1/20 0.52
▸ PRMT1 Q99873 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ ALPL P05186 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ ALPI P09923 1/20 0.51
▸ ALPG P10696 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL16181495 0.86 CA9 (0.67) CA9CA1CA2CA12USP2
SCHEMBL13907005 0.85 CA9 (0.57) CA9CA1CA2CA12USP2
SCHEMBL14806746 0.83 CA9 (0.57) CA9CA1CA2CA12USP2
SCHEMBL18633954 0.83 CA9 (0.63) CA9CA1CA2CA12USP2
SCHEMBL15828111 0.82 CA9 (0.83) CA9CA1CA2CA12USP2
SCHEMBL13971293 0.82 USP2 (0.72) CA9CA1CA2CA12USP2
SCHEMBL2742845 0.82 CA9 (0.58) CA9CA1CA2CA12USP2
SCHEMBL14426895 0.82 USP2 (0.68) CA9CA1CA2CA12USP2
5-Iodoacetamidofluorescein SCHEMBL10146553 0.82 CA9 (0.66) CA9CA1CA2CA12USP2
SCHEMBL12793932 0.82 CA9 (0.66) CA9CA1CA2CA12USP2

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-20130078671-A1 INCORPORATION OF TWO DIFFERENT NONCANONICAL AMINO ACIDS INTO A SINGLE PROTEIN THE TEXAS A&M UNIVERSITY SYSTEM (US) 2013-03-28 — — US disclosed
US-20130078671-A1 INCORPORATION OF TWO DIFFERENT NONCANONICAL AMINO ACIDS INTO A SINGLE PROTEIN THE TEXAS A&M UNIVERSITY SYSTEM (US) 2013-03-28 — — 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-20130078671-A1 INCORPORATION OF TWO DIFFERENT NONCANONICAL AMINO ACIDS INTO A SINGLE PROTEIN AARS1, NSUN3, NPEPPS CA9 4786/4885CA1 4284/4885CA2 3881/4885

“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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