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SCHEMBL2236652

SCHEMBL2236652

COc1cc(OS(=O)(=O)c2ccc(N)cc2)cc(OC)c1OC

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 4/20 0.54
▸ CYP19A1 P11511 3/20 0.51
▸ NQO2 P16083 1/20 0.51
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ CA12 O43570 1/20 0.49
▸ KRAS P01116 1/20 0.46
▸ HTR6 P50406 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CA4 P22748 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ PTGS2 P35354 1/20 0.42

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
SCHEMBL6343103 0.88 CYP19A1 (0.51) CYP1A1CYP19A1NQO2CA1CA2
SCHEMBL6344050 0.87 LMNA (0.58) CYP1A1CA1CA2CA9CA12
SCHEMBL6496116 0.86 CYP1A1 (0.52) CYP1A1CA1CA2CA9CA12
SCHEMBL6340685 0.85 CA1 (0.52) CYP1A1CA1CA2CA9CA12
SCHEMBL2237499 0.84 CYP19A1 (0.51) CYP1A1CYP19A1CA1CA2CA9
SCHEMBL6341347 0.82 TUBB4A (0.54) CYP1A1CA1CA2CA9CA12
Antiarol SCHEMBL7459043 0.81 CYP3A4 (0.51) CYP1A1LMNAHTTSMN1; SMN2TDP1
SCHEMBL2236467 0.81 PTGS2 (0.59) CYP1A1KRASLMNAHTTPTGS2
SCHEMBL2238545 0.78 TDP1 (0.59) CA1CA2CA9HTR6LMNA
SCHEMBL2237507 0.78 TDP1 (0.59) CA1CA2CA9HTR6LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 — — US disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 — — US disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 — — US disclosed
EP-2536693-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS Université Laval (CA) 2012-12-26 — — EP disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 — — US disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 — — US disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 — — US disclosed
WO-2012142698-A1 ALKYLUREA DERIVATIVES ACTIVE AGAINST CANCER CELLS UNIVERSITE LAVAL (CA) 2012-10-26 — — WO disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 — — 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-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS CCNY, RPS4Y1, TPX2 CYP1A1 1777/4885CYP19A1 1910/4885NQO2 448/4885

“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.