SCHEMBL12231697

SCHEMBL12231697

Cc1ccc2c(-c3ccc(NC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)cc3C(=O)O)c3ccc(=O)cc-3oc2c1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.75
▸ CA1 P00915 16/20 0.75
▸ CA2 P00918 16/20 0.75
▸ CA12 O43570 7/20 0.72
▸ CA14 Q9ULX7 3/20 0.66
▸ CA7 P43166 2/20 0.64
▸ USP2 O75604 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ ADORA3 P0DMS8 1/20 0.56
▸ ADORA2A P29274 1/20 0.56
▸ ADORA1 P30542 1/20 0.56

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
SCHEMBL23169164 0.96 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL15828111 0.94 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL23169167 0.94 CA1 (0.77) CA9CA1CA2CA12CA14
SCHEMBL2234764 0.93 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL13097493 0.91 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL19788026 0.91 CA9 (0.62) CA9CA1CA2CA12CA14
SCHEMBL29699213 0.89 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL412012 0.89 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL23169163 0.89 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL12231957 0.89 CA9 (0.72) CA9CA1CA2CA12CA14

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-8044200-B2 Enhance immunology response; ion exchanging with chromatography support ENDOCYTE, INC. (US) 2011-10-25 — — US disclosed
US-20080207625-A1 Synthesis and Purification of Pteroic Acid and Conjugates Thereof ENDOCYTE, INC. (US) 2008-08-28 — — 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-20080207625-A1 Synthesis and Purification of Pteroic Acid and Conjugates Thereof DHFR, SLC46A1, FOLR1 CA9 1529/4885CA1 1765/4885CA2 3802/4885

“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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