SCHEMBL1492012

SCHEMBL1492012

Nc1c(F)ccc(NS(=O)(=O)c2ccccc2)c1F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.52
FFAR4 Q5NUL3 1/20 0.51
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
KEAP1 Q14145 3/20 0.49
NFE2L2 Q16236 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ERBB2 P04626 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
IL1RN P18510 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
METAP2 P50579 1/20 0.46

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
SCHEMBL1462153 1.00 SLC40A1 (0.52) SLC40A1FFAR4ALDH1A1GAAHTT
SCHEMBL1462151 0.88 FABP4 (0.47) SLC40A1FFAR4ALDH1A1GAAHTT
SCHEMBL14964574 0.86 APP (0.58) ALDH1A1CYP2D6CYP2C9METAP2
SCHEMBL3020516 0.85 BRAF (0.49) TSHRKMT2ACYP2C9
SCHEMBL25450510 0.84 ALDH1A1 (0.56) SLC40A1ALDH1A1GAAHTTKEAP1
SCHEMBL3029918 0.83 SLC40A1 (0.52) SLC40A1CYP2C9
SCHEMBL3022491 0.83 PTGES2 (0.52) ALDH1A1TSHR
SCHEMBL14964616 0.83 GLO1 (0.49) ALDH1A1HTTSMN1; SMN2TSHRKMT2A
SCHEMBL3017382 0.82 CYP2C19 (0.52) ALDH1A1GAAKEAP1NFE2L2SMN1; SMN2
SCHEMBL3024190 0.82 CYP2C9 (0.69) SLC40A1HTTKMT2ACYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US claimed
EP-2780341-B1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2019-02-13 EP disclosed
US-9550781-B2 Kinase modulating compounds, compositions containing the same and use thereof CENTAURUS BIOPHARMA CO., LTD. (CN) 2017-01-24 US disclosed
US-20140296261-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-10-02 US disclosed
EP-2780341-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF Centaurus Biopharma Co., Ltd. (CN) 2014-09-24 EP disclosed
WO-2013071865-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-05-23 WO disclosed
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
CN-102712646-A RAF inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC 2012-10-03 CN disclosed
EP-2493865-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-09-05 EP disclosed
EP-2470538-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
WO-2011025940-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 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 (3 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-20140296261-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF MAP3K20, MAP3K1, PRKCH SLC40A1 4549/4885FFAR4 3530/4885ALDH1A1 4445/4885
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF SLC40A1 2345/4885FFAR4 2956/4885ALDH1A1 1048/4885
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF SLC40A1 2345/4885FFAR4 2956/4885ALDH1A1 1048/4885

“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.