SCHEMBL684579

SCHEMBL684579

C=C(Br)CC(C(C)=O)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
TSHR P16473 1/20 0.31
MME P08473 1/20 0.30
KMT2A Q03164 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
SCHEMBL8201275 0.90 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2ZDHHC7TSHRMME
SCHEMBL13941536 0.86 MME (0.38) ALDH1A1SMN1; SMN2ZDHHC7MMEKMT2A
SCHEMBL4144659 0.83 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TSHRMMEKMT2A
SCHEMBL11292145 0.80 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2ZDHHC7TSHRMME
SCHEMBL25457592 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2ZDHHC7TSHRMME
SCHEMBL9346762 0.77 KMT2A (0.36) ALDH1A1SMN1; SMN2TSHRMMEKMT2A
SCHEMBL446634 0.77 MGAM (0.42) ALDH1A1SMN1; SMN2TSHRMMEKMT2A
SCHEMBL222338 0.76 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2ZDHHC7TSHRMME
SCHEMBL2230171 0.76 SMN1; SMN2 (0.32) ALDH1A1SMN1; SMN2MMEKMT2A
SCHEMBL13643069 0.75 ESRRB (0.37) ALDH1A1SMN1; SMN2ZDHHC7TSHRMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2017-06-29 US disclosed
US-20140378466-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES (US) 2014-12-25 US disclosed
US-8829052-B2 Derivatives of N-(arylamino)sulfonamides as inhibitors of MEK ARDEA BIOSCIENCES, INC. (US) 2014-09-09 US disclosed
US-8808742-B2 Compositions and methods for preparing and using same ARDEA BIOSCIENCES, INC. (US) 2014-08-19 US disclosed
US-8648116-B2 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) 2014-02-11 US disclosed
US-20120022076-A1 DERIVATIVES OF N-(ARYLAMINO)SULFONAMIDES AS INHIBITORS OF MEK MADERNA ANDREAS (US) 2012-01-26 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 (5 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 ALDH1A1 1961/4885SMN1; SMN2 2968/4885ZDHHC7 1825/4885
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 ALDH1A1 1961/4885SMN1; SMN2 2968/4885ZDHHC7 1825/4885
US-20140378466-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 ALDH1A1 1961/4885SMN1; SMN2 2968/4885ZDHHC7 1825/4885
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 ALDH1A1 2783/4885SMN1; SMN2 3442/4885ZDHHC7 3626/4885
US-20110033539-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME HMGCR, PCSK9, C5 ALDH1A1 2451/4885SMN1; SMN2 101/4885ZDHHC7 1180/4885

“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.