SCHEMBL1776401

SCHEMBL1776401

C[C@@H](Nc1nc(Nc2ccc(/S(C)=N/S(C)(=O)=O)cc2)ncc1Br)C(C)(C)O

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 19/20 0.69
▸ CDK1 P06493 19/20 0.69
▸ CDK2 P24941 19/20 0.69
▸ CA2 P00918 1/20 0.51
▸ CCNB1 P14635 1/20 0.51
▸ CCNE1 P24864 1/20 0.51

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
SCHEMBL1776403 1.00 KDR (0.69) KDRCDK1CDK2CA2CCNB1
SCHEMBL2934293 1.00 KDR (0.69) KDRCDK1CDK2CA2CCNB1
SCHEMBL2939510 0.92 KDR (0.66) KDRCDK1CDK2CA2CCNB1
SCHEMBL1773743 0.92 KDR (0.66) KDRCDK1CDK2CA2CCNB1
SCHEMBL1773742 0.92 KDR (0.66) KDRCDK1CDK2CA2CCNB1
SCHEMBL1776255 0.91 KDR (0.67) KDRCDK1CDK2CA2CCNB1
SCHEMBL2937047 0.91 KDR (0.67) KDRCDK1CDK2CA2CCNB1
SCHEMBL1776257 0.91 KDR (0.67) KDRCDK1CDK2CA2CCNB1
SCHEMBL2941710 0.90 KDR (0.64) KDRCDK1CDK2CA2CCNB1
SCHEMBL1774763 0.90 KDR (0.64) KDRCDK1CDK2CA2CCNB1

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-7943629-B2 Anticancer/antitumor agents; S-(4-([4-([(1R,2R)-2-Hydroxy-1-methylpropyl]amino)-5-(trifluoromethyl)-pyrimidin-2-yl]amino)phenyl)-S-methyl-N-[(trifluoromethyl)sulphonyl]-sulphimide for example BAYER SCHERING PHARMA AG (DE) 2011-05-17 — — US disclosed
EP-2029552-A1 SULFIMIDES AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-03-04 — — EP disclosed
US-20080058358-A1 SULPHIMIDES AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 — — US disclosed
WO-2007140957-A1 SULFIMIDES AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-13 — — 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-20080058358-A1 SULPHIMIDES AS PROTEIN KINASE INHIBITORS PRKCE, BRAF, PACSIN2 KDR 1439/4885CDK1 160/4885CDK2 49/4885

“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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