SCHEMBL823328

SCHEMBL823328

CC(C)(C)OC(=O)Nc1cccc[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ATM Q13315 1/20 0.37
DRD2 P14416 1/20 0.37
HTT P42858 1/20 0.37
NAMPT P43490 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AKT1 P31749 2/20 0.36
MAPK10 P53779 1/20 0.36
CNR2 P34972 1/20 0.36
CYP17A1 P05093 1/20 0.35

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
SCHEMBL6178258 0.80 MALT1 (0.51) CA12CA1DRD2KDM4A
SCHEMBL6969037 0.78 TDP1 (0.47) CA12CA1DRD2
SCHEMBL6962221 0.78 STK17B (0.47) MEN1KMT2AGAACA12CA1
SCHEMBL10852799 0.78 HPGD (0.47) LMNAPOLBMEN1NPC1RAB9A
SCHEMBL14634232 0.77 LCK (0.39) LMNAPOLBNPC1RAB9ACA12
SCHEMBL11316710 0.76 HSD17B10 (0.45) POLBMEN1NPC1RAB9AKMT2A
SCHEMBL9599428 0.76 ALDH1A1 (0.47) LMNAMEN1RAB9AKMT2AGAA
SCHEMBL7403603 0.76 LCK (0.41) LMNAPOLBCA12CA1NAMPT
SCHEMBL1192082 0.76 MEN1 (0.36) LMNAPOLBMEN1NPC1RAB9A
SCHEMBL7663505 0.76 ATM (0.42) ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 EP claimed
EP-3050873-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-08-03 EP claimed
EP-2651893-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-03-30 EP claimed
EP-2651893-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP claimed
US-8450367-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-05-28 US claimed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US claimed
WO-2012082566-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO claimed
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 EP disclosed
US-9663460-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-05-30 US disclosed
US-20170050925-A9 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2017-02-23 US disclosed
EP-3050873-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-08-03 EP disclosed
EP-2651893-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-03-30 EP disclosed
US-20140378492-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2014-12-25 US disclosed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 US disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 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 (6 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-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD LMNA 2777/4885POLB 679/4885MEN1 1774/4885
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 LMNA 1854/4885POLB 3626/4885MEN1 203/4885
US-20140378492-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 LMNA 4884/4885POLB 3493/4885MEN1 4826/4885
US-20170050925-A9 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 LMNA 4884/4885POLB 3493/4885MEN1 4826/4885
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 LMNA 4884/4885POLB 3493/4885MEN1 4826/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD LMNA 2777/4885POLB 679/4885MEN1 1774/4885

“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.