SCHEMBL16181495

SCHEMBL16181495

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 15/20 0.67
▸ CA1 P00915 14/20 0.67
▸ CA2 P00918 14/20 0.67
▸ USP2 O75604 3/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ CA12 O43570 6/20 0.66
▸ CA14 Q9ULX7 2/20 0.60
▸ CA7 P43166 2/20 0.59
▸ DNASE1L3 Q13609 1/20 0.57
▸ PRMT1 Q99873 1/20 0.57
▸ MEN1 O00255 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ ALPL P05186 1/20 0.56
▸ ALPI P09923 1/20 0.56
▸ ALPG P10696 1/20 0.56
▸ ADRA1D P25100 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ ADRA1B P35368 1/20 0.56
▸ ATM Q13315 1/20 0.54

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
SCHEMBL18633954 0.91 CA9 (0.63) CA9CA1CA2USP2L3MBTL1
SCHEMBL14852664 0.89 CA9 (0.58) CA9CA1CA2USP2L3MBTL1
SCHEMBL12231957 0.88 CA9 (0.72) CA9CA1CA2USP2L3MBTL1
SCHEMBL19545067 0.88 CA9 (0.67) CA9CA1CA2USP2L3MBTL1
SCHEMBL15828111 0.88 CA9 (0.83) CA9CA1CA2USP2L3MBTL1
SCHEMBL13971293 0.88 USP2 (0.72) CA9CA1CA2USP2L3MBTL1
SCHEMBL12060569 0.88 USP2 (0.72) CA9CA1CA2USP2L3MBTL1
SCHEMBL23762521 0.87 CA9 (0.66) CA9CA1CA2USP2L3MBTL1
SCHEMBL14527509 0.87 CA9 (0.66) CA9CA1CA2USP2L3MBTL1
SCHEMBL13097493 0.87 CA9 (0.75) CA9CA1CA2USP2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 — — US disclosed
US-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use LIFE TECHNOLOGIES CORP (US) 2016-05-19 — — US disclosed
US-8865891-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2014-10-21 — — 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-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA CA9 381/4885CA1 913/4885CA2 851/4885
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA CA9 381/4885CA1 913/4885CA2 851/4885

“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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