Sugi Predict

Sugi Predict / Compounds / SCHEMBL17133279

SCHEMBL17133279

SCHEMBL17133279

C=CCC1(S(=O)(=O)Nc2c(OC)cc(F)c(F)c2Nc2ccc(C)cc2F)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 3/20 0.57
▸ CHEK1 O14757 1/20 0.57
▸ MAP2K2 P36507 1/20 0.57
▸ MAPK10 P53779 1/20 0.57
▸ PRKAG1 P54619 1/20 0.57
▸ ADCK1 Q86TW2 1/20 0.57
▸ PRKAG2 Q9UGJ0 1/20 0.57
▸ CSF1R P07333 1/20 0.36
▸ P2RX7 Q99572 2/20 0.36
▸ SCN5A Q14524 10/20 0.33
▸ EGFR P00533 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ KCNH2 Q12809 9/20 0.33
▸ LMNA P02545 1/20 0.31

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
SCHEMBL19050681 0.90 MAP2K1 (0.47) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL345633 0.90 MAP2K1 (0.71) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL19050661 0.89 MAP2K2 (0.44) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL15826956 0.88 MAP2K2 (0.43) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL20385592 0.87 MAP2K1 (0.60) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL19050640 0.87 CHEK1 (0.42) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL19050663 0.86 MAP2K1 (0.65) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL20385641 0.85 MAP2K1 (0.69) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL19050608 0.84 MAP2K2 (0.39) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL20385594 0.84 MAP2K1 (0.61) MAP2K1CHEK1MAP2K2MAPK10PRKAG1

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 3 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-9296686-B2 Preparation of (R)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide and (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide ARDEA BIOSCIENCES, INC. (US) 2016-03-29 — — US disclosed
US-20150274651-A1 PREPARATION OF (R)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND (S)- N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE ARDEA BIOSCIENCES, INC. (US) 2015-10-01 — — 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-20150274651-A1 PREPARATION OF (R)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND (S)- N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE DHPS, S1PR2, SULT2A1 MAP2K1 2497/4885CHEK1 4334/4885MAP2K2 2059/4885
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 MAP2K1 52/4885CHEK1 260/4885MAP2K2 48/4885

“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.