SCHEMBL5188773

SCHEMBL5188773

CN1C(C)(C)c2ccc(N)cc2S1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
BACE1 P56817 10/20 0.35
BACE2 Q9Y5Z0 5/20 0.33
KDM4E B2RXH2 1/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
BRPF1 P55201 1/20 0.31
PRKCI P41743 1/20 0.30

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
SCHEMBL12059117 0.74 CA9 (0.40) CA12CA9CA1CA2
SCHEMBL5475893 0.70 CA9 (0.42) CA12CA9CA1CA2BACE1
SCHEMBL18529414 0.68 BACE1 (0.36) CA9BACE1BACE2KDM4ENSD2
SCHEMBL14625877 0.67 CA9 (0.50) CA12CA9CA1CA2KDM4E
SCHEMBL1950126 0.66 PRKCI (0.35) BACE1KDM4ENSD2ALDH1A1MAPT
SCHEMBL11997372 0.66 ALDH1A1 (0.39) KDM4ENSD2ALDH1A1MAPTBRPF1
SCHEMBL25609811 0.63 CA9 (0.58) CA12CA9CA1CA2NSD2
SCHEMBL9245703 0.63 MAOA (0.51) CA12CA9CA1CA2KDM4E
SCHEMBL2881312 0.62 CASP1 (0.35) CA1CA2BACE1KDM4EALDH1A1
SCHEMBL1950822 0.61 MAPT (0.35) CA9KDM4EALDH1A1MAPTPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
EP-1773828-A1 HETEROCYCLE -SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-04-18 EP disclosed
WO-2006010642-A1 HETEROCYCLE-SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-02-02 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-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors CDK1, PRKAR2B, MAP3K19 CA12 4622/4885CA9 3416/4885CA1 4076/4885

“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.