SCHEMBL389985

SCHEMBL389985

COc1c(CS(=O)(=O)O)c(F)c(F)c(Nc2ccc(I)cc2F)c1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.52
CA2 P00918 6/20 0.52
MAP2K2 P36507 1/20 0.47

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
SCHEMBL2954977 0.76 MAP2K1 (0.69) MAP2K1CA2MAP2K2
SCHEMBL391026 0.73 MAP2K1 (0.51) MAP2K1CA2MAP2K2
SCHEMBL2953672 0.72 MAP2K1 (0.67) MAP2K1CA2MAP2K2
SCHEMBL31354748 0.72 MAP2K1 (0.67) MAP2K1CA2MAP2K2
SCHEMBL1111383 0.70 MAP2K1 (0.79) MAP2K1CA2
SCHEMBL27470937 0.70 MAP2K1 (0.55) MAP2K1MAP2K2
SCHEMBL1111473 0.70 MAP2K1 (0.68) MAP2K1MAP2K2
SCHEMBL30022485 0.68 MAP2K1 (0.63) MAP2K1MAP2K2
SCHEMBL12540033 0.67 MAP2K1 (0.51) MAP2K1CA2MAP2K2
SCHEMBL24539656 0.67 MAP2K1 (0.64) MAP2K1MAP2K2

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-20120022076-A1 DERIVATIVES OF N-(ARYLAMINO)SULFONAMIDES AS INHIBITORS OF MEK MADERNA ANDREAS (US) 2012-01-26 US disclosed
US-8101799-B2 Derivatives of N-(arylamino) sulfonamides as inhibitors of MEK ARDEA BIOSCIENCES (US) 2012-01-24 US disclosed
US-20110060049-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES INCLUDING POLYMORPHS AS INHIBITORS OF MEK AS WELL AS COMPOSITIONS, METHODS OF USE AND METHODS FOR PREPARING THE SAME ARDEA BIOSCIENCES, INC. (US) 2011-03-10 US disclosed
US-20110033539-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME ARDEA BIOSCIENCES, INC (US) 2011-02-10 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 (3 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-20120022076-A1 DERIVATIVES OF N-(ARYLAMINO)SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 MAP2K1 52/4885CA2 4520/4885MAP2K2 48/4885
US-20110060049-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES INCLUDING POLYMORPHS AS INHIBITORS OF MEK AS WELL AS COMPOSITIONS, METHODS OF USE AND METHODS FOR PREPARING THE SAME NRAS, BRAF, MAP3K2 MAP2K1 28/4885CA2 3020/4885MAP2K2 21/4885
US-20110033539-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME HMGCR, PCSK9, C5 MAP2K1 4649/4885CA2 999/4885MAP2K2 4647/4885

“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.