SCHEMBL1592968

SCHEMBL1592968

CCCN(c1ccc(F)c(C(=O)O)c1F)S(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.38
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA9 Q16790 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
ABCC2 Q92887 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
UGT1A7 Q9HAW7 1/20 0.35
SLC22A11 Q9NSA0 1/20 0.35
LMNA P02545 1/20 0.34
FABP4 P15090 1/20 0.32
CA1 P00915 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HCAR3 P49019 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
SCHEMBL27838905 0.86 ESR1 (0.36) ESR1CA12CA2CA9LMNA
SCHEMBL15544206 0.77 PLK1 (0.34) CA12CA2RAB9ASMN1; SMN2CA9
SCHEMBL27838907 0.77 LMNA (0.40) ESR1CA12CA2RAB9ASMN1; SMN2
SCHEMBL1490950 0.76 LMNA (0.39) SMN1; SMN2LMNAFABP4
SCHEMBL8001344 0.75 BRAF (0.34) LMNAFABP4
SCHEMBL1437491 0.74 AKR1B1 (0.34) LMNAFABP4
SCHEMBL1493318 0.74 LMNA (0.38) SMN1; SMN2LMNAFABP4
SCHEMBL27819481 0.73 FABP4 (0.30) FABP4
SCHEMBL27838929 0.73 MCL1 (0.38) FABP4
SCHEMBL27819429 0.72 ESR1 (0.37) ESR1

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 11 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
CN-102149712-A Pyrazolo [3,4-b ] pyridine Raf inhibitors ARRAY BIOPHARMA INC 2011-08-10 CN 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
CN-102015707-A RAF inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC 2011-04-13 CN disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 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
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

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-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF ESR1 4151/4885CA12 4736/4885CA2 3510/4885
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ESR1 4174/4885CA12 3380/4885CA2 2919/4885

“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.