SCHEMBL12869782

SCHEMBL12869782

COc1cc(F)c(F)c(Nc2ccc(C)cc2F)c1NS(=O)(=O)C1(C[C@@H](O)CO)CC1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.82
MAP2K2 P36507 4/20 0.82
CHEK1 O14757 1/20 0.82
MAPK10 P53779 1/20 0.82
PRKAG1 P54619 1/20 0.82
ADCK1 Q86TW2 1/20 0.82
PRKAG2 Q9UGJ0 1/20 0.82
CSF1R P07333 1/20 0.37
SCN5A Q14524 10/20 0.36
KCNH2 Q12809 9/20 0.36
CYP3A4 P08684 1/20 0.35
LPAR1 Q92633 1/20 0.35
BRAF P15056 1/20 0.35
MAPK1 P28482 1/20 0.35
MAP2K5 Q13163 1/20 0.35
P2RX7 Q99572 1/20 0.33

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
SCHEMBL10258182 1.00 MAP2K1 (0.82) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL12869829 1.00 MAP2K1 (0.82) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL18088594 0.92 MAP2K1 (0.84) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL19050685 0.92 MAP2K1 (0.72) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL20385641 0.92 MAP2K1 (0.69) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL19050686 0.91 MAP2K1 (0.69) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
Refametinib SCHEMBL10314890 0.90 MAP2K1 (1.00) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
Refametinib SCHEMBL346872 0.90 MAP2K1 (1.00) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
Refametinib SCHEMBL345334 0.90 MAP2K1 (1.00) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
Refametinib SCHEMBL29360059 0.90 MAP2K1 (1.00) MAP2K1MAP2K2CHEK1MAPK10PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4134081-A1 CANCER THERAPY USING 3,5-DISUBSTITUTED BENZENE ALKYNYL COMPOUND AND MEK INHIBITOR Taiho Pharmaceutical Co., Ltd. (JP) 2023-02-15 EP disclosed
US-20170204383-A1 C-RAF Mutants that Confer Resistance to RAF Inhibitors EMERY CAROLINE (US) 2017-07-20 US disclosed
US-20170204383-A1 C-RAF Mutants that Confer Resistance to RAF Inhibitors EMERY CAROLINE (US) 2017-07-20 US disclosed
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2017-06-29 US disclosed
US-8808742-B2 Compositions and methods for preparing and using same ARDEA BIOSCIENCES, INC. (US) 2014-08-19 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 (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-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 MAP2K1 52/4885MAP2K2 48/4885CHEK1 260/4885
US-20110033539-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME HMGCR, PCSK9, C5 MAP2K1 4649/4885MAP2K2 4647/4885CHEK1 3093/4885

“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.