SCHEMBL2875965

SCHEMBL2875965

CS(=O)(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.47
P2RX1 P51575 3/20 0.45
P2RX4 Q99571 1/20 0.45
P2RX7 Q99572 1/20 0.45
BRD4 O60885 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL15220185 0.84 KDM4E (0.51) TDP1KDM4ELMNAMAPTMEN1
SCHEMBL11641924 0.84 KDM4E (0.51) TDP1KDM4ELMNAMAPTMEN1
SCHEMBL12054671 0.82 KIF11 (0.59) KIF11P2RX1BRD4GAAMAPT
SCHEMBL20040761 0.81 P2RX1 (0.49) KIF11P2RX1P2RX4P2RX7TDP1
SCHEMBL6219674 0.78 P2RX1 (0.41) KIF11P2RX1P2RX4P2RX7TDP1
SCHEMBL2872188 0.78 TSHR (0.57) TDP1KDM4ELMNAMAPTMEN1
SCHEMBL25352438 0.76 KDM4E (0.46) KIF11P2RX1TDP1KDM4ELMNA
SCHEMBL2871473 0.76 HSP90AA1 (0.43) TDP1GAALMNAKMT2AALDH1A1
SCHEMBL25368705 0.76 ACP1 (0.54) TDP1KDM4ELMNAMAPTMEN1
SCHEMBL31561144 0.76 KDM4E (0.46) KIF11P2RX1TDP1KDM4ELMNA

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 EP disclosed
US-9840477-B2 Cyclopropanecarboxamido-substituted aromatic compounds as anti-tumor agents CB THERAPEUTICS INC. (KY) 2017-12-12 US disclosed
US-9840477-B2 Cyclopropanecarboxamido-substituted aromatic compounds as anti-tumor agents CB THERAPEUTICS INC. (KY) 2017-12-12 US disclosed
US-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents APOLLOMICS INC. 2016-09-29 US disclosed
US-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents APOLLOMICS INC. 2016-09-29 US disclosed
US-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents APOLLOMICS INC. 2016-09-29 US disclosed
US-9359338-B2 Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents CROWN BIOSCIENCE INC. (TAIWAN) (TW) 2016-06-07 US disclosed
US-9359338-B2 Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents CROWN BIOSCIENCE INC. (TAIWAN) (TW) 2016-06-07 US disclosed
US-9359338-B2 Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents CROWN BIOSCIENCE INC. (TAIWAN) (TW) 2016-06-07 US disclosed
US-20150197511-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS APOLLOMICS INC. 2015-07-16 US disclosed
US-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
EP-2114945-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
WO-2008092831-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-07 WO disclosed
EP-1953163-A1 Pteridinone derivatives as PI3-kinases inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP disclosed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP disclosed
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 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 (4 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-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents BRAF, RAF1, ARAF KIF11 2326/4885P2RX1 3706/4885P2RX4 3577/4885
US-20150197511-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS BRAF, ARAF, RAF1 KIF11 1872/4885P2RX1 3195/4885P2RX4 3055/4885
US-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS PIK3CA, PDPK1, PIK3C3 KIF11 2479/4885P2RX1 1433/4885P2RX4 2171/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 KIF11 4086/4885P2RX1 705/4885P2RX4 961/4885

“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.