SCHEMBL12837315

SCHEMBL12837315

C[C@]1(O[C@H]2OC(CO)[C@@H](O)C(O)C2NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)OC(CO)[C@@H](O)C(O)C1O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 14/20 0.52
▸ CA2 P00918 14/20 0.52
▸ CA9 Q16790 14/20 0.52
▸ CA12 O43570 6/20 0.52
▸ CA14 Q9ULX7 2/20 0.50
▸ CA7 P43166 2/20 0.49
▸ ELF3 P78545 4/20 0.48
▸ MED23 Q9ULK4 4/20 0.48

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
SCHEMBL13449584 1.00 CA1 (0.52) CA1CA2CA9CA12CA14
SCHEMBL15314740 0.80 CA1 (0.63) CA1CA2CA9CA12CA14
SCHEMBL17342554 0.80 CA1 (0.63) CA1CA2CA9CA12CA14
SCHEMBL19961993 0.78 CA1 (0.54) CA1CA2CA9CA12CA14
SCHEMBL13271743 0.77 CA1 (0.52) CA1CA2CA9CA12CA14
SCHEMBL13097493 0.76 CA9 (0.75) CA1CA2CA9CA12CA14
SCHEMBL15828111 0.76 CA9 (0.83) CA1CA2CA9CA12CA14
SCHEMBL19961511 0.75 CA1 (0.57) CA1CA2CA9CA12CA14
SCHEMBL19962810 0.75 CA1 (0.56) CA1CA2CA9CA12CA14
SCHEMBL2234764 0.75 CA9 (0.83) CA1CA2CA9CA12CA14

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-20120263649-A1 DETECTION OF MYCOBACTERIA ISIS INNOVATION LIMITED (GB) 2012-10-18 — — US disclosed
WO-2011030160-A1 DETECTION OF MYCOBACTERIA ISIS INNOVATION LIMITED (GB) 2011-03-17 — — WO 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-20120263649-A1 DETECTION OF MYCOBACTERIA LY96, MICA, CD74 CA1 2576/4885CA2 1447/4885CA9 2871/4885

“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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