SCHEMBL10025880

SCHEMBL10025880

Cc1cc(OCc2ccc(CNC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cc2)nc(N)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.56
CA1 P00915 8/20 0.56
CA2 P00918 8/20 0.56
CA9 Q16790 8/20 0.56
ITGB1 P05556 2/20 0.52
ITGA4 P13612 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
PSMD11 O00231 1/20 0.49
RNF168 Q8IYW5 1/20 0.49
SENP1 Q9P0U3 1/20 0.47
PLCD1 P51178 1/20 0.45
EGFR P00533 1/20 0.45

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
SCHEMBL10025884 0.93 CA12 (0.58) CA12CA1CA2CA9ITGB1
SCHEMBL10025883 0.89 CA12 (0.59) CA12CA1CA2CA9ITGB1
SCHEMBL11896715 0.83 CA12 (0.59) CA12CA1CA2CA9ITGB1
SCHEMBL14308477 0.80 CA12 (0.72) CA12CA1CA2CA9ITGB1
SCHEMBL17875149 0.80 PSMD11 (0.34) CA12CA1CA2CA9ITGB1
SCHEMBL2054841 0.79 CA12 (0.51) CA12CA1CA2CA9ITGB1
SCHEMBL6372736 0.78 CA12 (0.79) CA12CA1CA2CA9ITGB1
SCHEMBL11896832 0.76 CA12 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL18779801 0.76 TDP1 (0.78) CA12CA1CA2CA9ITGB1
SCHEMBL3297576 0.75 F2 (0.57) CA12CA1CA2CA9ITGB1

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-8178314-B2 Pyrimidines reacting with O6-alkylguanine-DNA alkyltransferase fusion protein and method for detecting protein COVALYS BIOSCIENCES AG (CH) 2012-05-15 US disclosed
US-8178314-B2 Pyrimidines reacting with O6-alkylguanine-DNA alkyltransferase fusion protein and method for detecting protein COVALYS BIOSCIENCES AG (CH) 2012-05-15 US disclosed
US-20090186373-A1 Pyrimidines reacting with O6-Alkylguanine-DNA alkyltransferase COVALYS BIOSCIENCES AG (CH) 2009-07-23 US disclosed
US-20090186373-A1 Pyrimidines reacting with O6-Alkylguanine-DNA alkyltransferase COVALYS BIOSCIENCES AG (CH) 2009-07-23 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-20090186373-A1 Pyrimidines reacting with O6-Alkylguanine-DNA alkyltransferase HPRT1, UNG, DPYD CA12 4280/4885CA1 4529/4885CA2 3559/4885

“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.