SCHEMBL13915090

SCHEMBL13915090

O=C(NCCNC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)NCCNC(=O)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 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.65
▸ CA1 P00915 15/20 0.56
▸ CA2 P00918 15/20 0.56
▸ CA12 O43570 7/20 0.56
▸ CA14 Q9ULX7 3/20 0.55
▸ CA7 P43166 2/20 0.55
▸ USP2 O75604 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ DNASE1L3 Q13609 1/20 0.48
▸ PRMT1 Q99873 1/20 0.48
▸ PTGER3 P43115 1/20 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
SCHEMBL11938239 0.89 CA1 (0.67) CA9CA1CA2CA12CA14
SCHEMBL17522975 0.86 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL14089616 0.85 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL16521412 0.84 CA9 (0.68) CA9CA1CA2CA12CA14
SCHEMBL11938240 0.83 CA1 (0.60) CA9CA1CA2CA12CA14
SCHEMBL18163373 0.83 CA9 (0.68) CA9CA1CA2CA12CA14
SCHEMBL18517643 0.82 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL10035691 0.82 CA9 (0.65) CA9CA1CA2CA12CA14
SCHEMBL14411388 0.81 CA9 (0.65) CA9CA1CA2CA12CA14
SCHEMBL17522977 0.81 CA9 (0.64) 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-20090074673-A1 Compositions and methods for producing cellular labels for nuclear magnetic resonance techniques CARNEGIE MELLON UNIVERSITY (US) 2009-03-19 — — 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-20090074673-A1 Compositions and methods for producing cellular labels for nuclear magnetic resonance techniques NES, MKI67, CD68 CA9 2337/4885CA1 1004/4885CA2 3640/4885

“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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