Sugi Predict

Sugi Predict / Compounds / SCHEMBL914368

SCHEMBL914368

SCHEMBL914368

CCCCS(=O)(=O)N(c1ccc(F)c(C(=O)OC)c1F)S(=O)(=O)CCCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 2/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ BRAF P15056 5/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ BDKRB1 P46663 3/20 0.32
▸ POLB P06746 1/20 0.31
▸ MCOLN3 Q8TDD5 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 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
SCHEMBL913476 0.92 BRAF (0.34) BRAFPSEN1PSEN2APH1BNCSTN
SCHEMBL912774 0.90 BRAF (0.35) BRAFPSEN1PSEN2APH1BNCSTN
SCHEMBL912392 0.84 BRAF (0.33) BRAFPSEN1PSEN2APH1BNCSTN
SCHEMBL14979839 0.81 POLB (0.36) BRAFPSEN1PSEN2APH1BNCSTN
SCHEMBL913285 0.81 CYP2C9 (0.37) BRAFPSEN1PSEN2APH1BNCSTN
SCHEMBL1437450 0.81 KMT2A (0.35) BRAFPSEN1PSEN2APH1BNCSTN
SCHEMBL21596115 0.80 KMT2A (0.40) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL12497786 0.79 POLB (0.35) BRAFPSEN1PSEN2APH1BNCSTN
SCHEMBL8001344 0.78 BRAF (0.34) BRAF
SCHEMBL14236402 0.77 PSEN1 (0.33) BMP1BRAFPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 — — US disclosed
US-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 — — US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 — — EP disclosed
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 — — EP disclosed
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 — — EP disclosed
US-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC (US) 2012-06-21 — — US disclosed
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Bio Pharma Inc. (US) 2011-05-12 — — US disclosed
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 — — US disclosed
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 — — WO disclosed
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. 2011-01-06 — — US disclosed
US-20110003859-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2011-01-06 — — US disclosed
EP-2265574-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2010-12-29 — — EP disclosed
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 — — EP disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 — — EP disclosed
EP-2265609-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 — — EP disclosed
WO-2009111277-A9 IMIDAZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-12-30 — — WO disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 — — WO disclosed
WO-2009111280-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2009-09-11 — — WO disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 — — WO disclosed
WO-2009111277-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 — — 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 (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-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BMP1 3183/4885EPHX2 2551/4885BRAF 1/4885
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF BMP1 4104/4885EPHX2 2389/4885BRAF 1/4885
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF BMP1 4037/4885EPHX2 2767/4885BRAF 1/4885
US-20110003859-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER BRAF, RAF1, ARAF BMP1 4253/4885EPHX2 2564/4885BRAF 1/4885
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BMP1 3353/4885EPHX2 1764/4885BRAF 1/4885

“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.