SCHEMBL3296646

SCHEMBL3296646

COc1ccc(CNC(=O)NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 2/20 0.61
HTT P42858 1/20 0.56
TSHR P16473 1/20 0.55
CASR P41180 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
ALDH1A1 P00352 3/20 0.54
PTPN1 P18031 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
OPRK1 P41145 1/20 0.52
CXCR3 P49682 1/20 0.51
SGMS1 Q86VZ5 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX12 P18054 1/20 0.50

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
SCHEMBL6466723 0.87 CYP2C9 (0.57) TSHRPTPN1KMT2ATP53CYP2C9
SCHEMBL16562080 0.84 NPC1 (0.77) NPC1RAB9AHTTTSHRCASR
SCHEMBL23747417 0.83 NPC1 (0.71) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL8627685 0.83 ALDH1A1 (0.66) NPC1RAB9ATSHRPOLBMAPT
SCHEMBL6466509 0.83 MET (0.61) NPC1RAB9ACASRPOLBMAPT
SCHEMBL6465689 0.83 RAB9A (0.63) NPC1RAB9AHTTPOLBMAPT
SCHEMBL24576223 0.78 NPC1 (0.71) NPC1RAB9AHTTCASRPOLB
SCHEMBL15376420 0.77 SMN1; SMN2 (0.53) HTT
SCHEMBL16562237 0.77 EPHX1 (0.74) NPC1RAB9ACASRALDH1A1PTPN1
SCHEMBL5427744 0.76 NPC1 (1.00) NPC1RAB9AHTTCASRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737283-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2010-06-15 US disclosed
US-7531566-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2009-05-12 US disclosed
US-20090105230-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2009-04-23 US disclosed
US-20090075986-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2009-03-19 US disclosed
US-20080187978-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2008-08-07 US disclosed
US-20080132506-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2008-06-05 US disclosed
US-20080064688-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2008-03-13 US disclosed
US-7342037-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2008-03-11 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
EP-1773784-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-04-18 EP disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
WO-2006014290-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-02-09 WO disclosed
US-20050288286-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2005-12-29 US 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 (7 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-20080064688-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF NPC1 4549/4885RAB9A 4458/4885HTT 3954/4885
US-20090105230-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF NPC1 4549/4885RAB9A 4458/4885HTT 3954/4885
US-20090075986-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF NPC1 4549/4885RAB9A 4458/4885HTT 3954/4885
US-20070037808-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 NPC1 4635/4885RAB9A 3038/4885HTT 3988/4885
US-20050288286-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF NPC1 4549/4885RAB9A 4458/4885HTT 3954/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 NPC1 4635/4885RAB9A 3038/4885HTT 3988/4885
US-20080132506-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF NPC1 4549/4885RAB9A 4458/4885HTT 3954/4885

“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.