SCHEMBL14089616

SCHEMBL14089616

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

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 18/20 0.73
▸ CA1 P00915 17/20 0.73
▸ CA2 P00918 17/20 0.73
▸ CA12 O43570 9/20 0.73
▸ CA14 Q9ULX7 5/20 0.73
▸ CA7 P43166 3/20 0.73
▸ USP2 O75604 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL17793595 0.92 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL14032096 0.92 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL17049667 0.92 CA9 (0.74) CA9CA1CA2CA12CA14
SCHEMBL12185092 0.91 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL20622624 0.91 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL24257626 0.91 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL21303554 0.91 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL15958213 0.91 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL17522975 0.90 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL21391543 0.90 CA9 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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