SCHEMBL9953390

SCHEMBL9953390

COc1nc(C)nc(C(=O)c2cccc(F)c2NS(=O)(=O)C(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
CYP1A2 P05177 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
MLKL Q8NB16 1/20 0.32
SLC40A1 Q9NP59 1/20 0.31
KAT6A Q92794 2/20 0.31
POLB P06746 1/20 0.31
CCR4 P51679 1/20 0.30

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
SCHEMBL2615681 0.94 NPC1 (0.37) NPC1CYP1A2RAB9AALDH1A1SMN1; SMN2
SCHEMBL13168812 0.89 CCR9 (0.36) MLKLCCR4
SCHEMBL14582645 0.87 ALDH1A1 (0.33) NPC1CYP1A2RAB9AALDH1A1SMN1; SMN2
SCHEMBL13044405 0.84 NPC1 (0.38) NPC1CYP1A2RAB9AALDH1A1SMN1; SMN2
SCHEMBL13936700 0.83 MLKL (0.33) NPC1CYP1A2RAB9AMAPK1MLKL
SCHEMBL10068049 0.83 RXFP1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL10067965 0.82 MAPT (0.37) ALDH1A1KMT2AKAT6A
SCHEMBL3834184 0.82 MLKL (0.33) NPC1RAB9AALDH1A1KMT2AMLKL
SCHEMBL2615674 0.82 CCR9 (0.39) SMN1; SMN2KMT2AMLKLCCR4
SCHEMBL3826176 0.82 MLKL (0.35) MLKL

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-9096551-B2 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-9096551-B2 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-9096551-B2 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
EP-2655346-B1 PROCESS FOR THE PREPARATION OF 2-(TRIAZINYLCARBONYL)SULFONANILIDES BAYER IP GMBH (DE) 2015-01-21 EP disclosed
EP-2655346-B1 PROCESS FOR THE PREPARATION OF 2-(TRIAZINYLCARBONYL)SULFONANILIDES BAYER IP GMBH (DE) 2015-01-21 EP disclosed
US-20140024828-A1 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
US-20140024828-A1 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
US-20140024828-A1 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
EP-2655346-A2 METHOD FOR PRODUCING 2-(TRIAZINYLCARBONYL) SULFONANILIDES Bayer Intellectual Property GmbH (DE) 2013-10-30 EP disclosed
WO-2012084857-A2 METHOD FOR PRODUCING 2-(TRIAZINYLCARBONYL) SULFONANILIDES BAYER CROPSCIENCE AG (DE) 2012-06-28 WO disclosed
WO-2012084857-A2 METHOD FOR PRODUCING 2-(TRIAZINYLCARBONYL) SULFONANILIDES BAYER CROPSCIENCE AG (DE) 2012-06-28 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 (1 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-20140024828-A1 Method for producing 2-(triazinylcarbonyl) sulfonanilides AOX1, SULT1E1, CBR1 NPC1 4480/4885CYP1A2 20/4885RAB9A 3573/4885

“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.