Sugi Predict

Sugi Predict / Compounds / SCHEMBL912645

SCHEMBL912645

SCHEMBL912645

CCCS(=O)(=O)C(CC)S(=O)(=O)Nc1ccc(F)c(C(=O)OCc2ccccc2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.40
▸ MAPT P10636 3/20 0.40
▸ BRAF P15056 4/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GLO1 Q04760 1/20 0.34
▸ KCNA5 P22460 1/20 0.33
▸ CASP3 P42574 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
SCHEMBL912453 0.87 TP53 (0.36) TP53MAPTBRAFALDH1A1CYP3A4
SCHEMBL14964583 0.86 BRAF (0.41) BRAFCYP3A4
SCHEMBL912613 0.85 BRAF (0.46) TP53MAPTBRAFCYP3A4
SCHEMBL3416027 0.84 METAP2 (0.40) BRAFCYP3A4
SCHEMBL1494284 0.80 BRAF (0.41) TP53MAPTBRAFALDH1A1CYP3A4
SCHEMBL913252 0.76 BRAF (0.43) BRAFCYP3A4
SCHEMBL2357524 0.75 BRAF (0.53) BRAFCYP3A4
SCHEMBL913421 0.75 BRAF (0.41) BRAFCYP3A4
SCHEMBL1490930 0.74 ALDH1A1 (0.39) TP53MAPTALDH1A1CYP3A4TSHR
SCHEMBL1492024 0.72 BRAF (0.41) BRAFCYP3A4

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-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS 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-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 TP53 120/4885MAPT 900/4885BRAF 1/4885
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF TP53 142/4885MAPT 4751/4885BRAF 1/4885
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF TP53 143/4885MAPT 946/4885BRAF 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 TP53 152/4885MAPT 4810/4885BRAF 1/4885
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF TP53 117/4885MAPT 1047/4885BRAF 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.