SCHEMBL1554745

SCHEMBL1554745

Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2[N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.53
CA2 P00918 4/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL1555015 0.87 MAP2K1 (0.50) MAP2K1CA2CA1
SCHEMBL1555082 0.86 ALDH1A1 (0.44) MAP2K1CA2CA1
SCHEMBL12002496 0.84 MAP2K1 (0.60) MAP2K1CA2CA1
SCHEMBL12002495 0.84 MAP2K1 (0.60) MAP2K1CA2CA1
SCHEMBL1555556 0.82 MAP2K1 (0.52) MAP2K1CA2CA1
SCHEMBL1555323 0.82 MAP2K1 (0.71) MAP2K1CA2CA1
SCHEMBL13556478 0.82 MAP2K1 (0.55) MAP2K1CA2CA1
SCHEMBL1554191 0.81 MAP2K1 (0.70) MAP2K1CA2CA1
SCHEMBL1111202 0.81 MAP2K1 (0.81) MAP2K1CA2CA1
SCHEMBL12709925 0.80 MAP2K1 (0.57) MAP2K1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962606-B2 Substituted benzosulphonamides BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-24 US disclosed
US-8962606-B2 Substituted benzosulphonamides BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-24 US disclosed
US-20120269803-A1 SUBSTITUTED BENZOSULPHONAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-25 US disclosed
US-20120269804-A1 SUBSTITUTED BENZOSULPHONAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-25 US disclosed
EP-2491015-A1 SUBSTITUTED BENZOSULPHONAMIDES Bayer Pharma Aktiengesellschaft (DE) 2012-08-29 EP disclosed
EP-2491016-A1 SUBSTITUTED BENZOSULPHONAMIDES Bayer Pharma Aktiengesellschaft (DE) 2012-08-29 EP disclosed
WO-2011047795-A1 SUBSTITUTED BENZOSULPHONAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-28 WO disclosed
WO-2011047788-A1 SUBSTITUTED BENZOSULPHONAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-28 WO disclosed
WO-2011047788-A1 SUBSTITUTED BENZOSULPHONAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-28 WO disclosed
WO-2011047795-A1 SUBSTITUTED BENZOSULPHONAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-28 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 (2 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-20120269803-A1 SUBSTITUTED BENZOSULPHONAMIDES VEGFA, CCND2, F12 MAP2K1 3488/4885CA2 3787/4885CA1 4811/4885
US-20120269804-A1 SUBSTITUTED BENZOSULPHONAMIDES VEGFA, CCND2, F12 MAP2K1 3488/4885CA2 3787/4885CA1 4811/4885

“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.