SCHEMBL10035691

SCHEMBL10035691

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

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 14/20 0.65
▸ CA1 P00915 13/20 0.58
▸ CA2 P00918 13/20 0.58
▸ CA12 O43570 6/20 0.58
▸ CA14 Q9ULX7 2/20 0.56
▸ CA7 P43166 1/20 0.56
▸ USP2 O75604 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ FKBP1A P62942 2/20 0.53
▸ HTR3A P46098 2/20 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
SCHEMBL18517643 0.90 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL10035688 0.87 FOLH1 (0.58) CA9CA1CA2CA12USP2
SCHEMBL17522975 0.87 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL16521412 0.86 CA9 (0.68) CA9CA1CA2CA12CA14
SCHEMBL14411388 0.85 CA9 (0.65) CA9CA1CA2CA12CA14
SCHEMBL14089616 0.84 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL13815114 0.83 CA1 (0.71) CA9CA1CA2CA12CA14
SCHEMBL22030342 0.83 CA1 (0.67) CA9CA1CA2CA12CA14
SCHEMBL19545067 0.83 CA9 (0.67) CA9CA1CA2CA12CA14
SCHEMBL13219607 0.82 CA1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119653-B2 Belactosin derivatives as therapeutic agents/biological probes and their synthesis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-02-21 — — US disclosed
US-7737134-B2 Anticancer agents and use THE TEXAS A & M UNIVERSITY SYSTEM (US) 2010-06-15 — — US disclosed
US-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS NATIONAL SCIENCE FOUNDATION 2009-02-12 — — US disclosed
US-20070149581-A1 Potent immunosuppressive agents derivatives and use THE TEXAS A&M UNIVERSITY SYSTEM (US) 2007-06-28 — — 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 (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-20070149581-A1 Potent immunosuppressive agents derivatives and use EIF4A1, EIF4A3, EIF4EBP1 CA9 4542/4885CA1 4181/4885CA2 4305/4885
US-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS PSMB1, PSMB10, PBK CA9 3815/4885CA1 4049/4885CA2 4408/4885

“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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