SCHEMBL183764

SCHEMBL183764

CC(C)CC(=O)OC(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 1/20 0.39
CYP2C19 P33261 1/20 0.35
ALOX15 P16050 1/20 0.34
MIF P14174 1/20 0.33
PRKCA P17252 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL248143 0.84 ALDH1A1 (0.50) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8339335 0.77 ALDH1A1 (0.50) MMP1MMP2MMP3MMP9MMP13
SCHEMBL30829392 0.77 MMP1 (0.50) MMP1MMP2MMP3MMP9MMP13
SCHEMBL181910 0.77 MMP1 (0.45) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8366458 0.77 ALDH1A1 (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5209633 0.76 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL181917 0.75 MMP1 (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18829861 0.75 MMP1 (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL41914 0.74
SCHEMBL11207226 0.73 TDP1 (0.46) MMP1MMP2MMP3MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841282-B2 Pyrrolidinone benzenesulfonamide derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-20130338119-A1 Pyrrolidinone Benzenesulfonamide Derivatives as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-19 US disclosed
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-8343763-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-8143297-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-27 US disclosed
WO-2010002956-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 WO disclosed
US-20100004300-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 US disclosed
WO-2009064752-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-22 WO disclosed
WO-2009064747-A2 4(-3-(-2-(PHENYL)MORPHOLINO)-2-OXOPYRROLIDIN-1-YL)-N-(THIAZOL-2-YL)BENZENESULFONAMIDE DERIVATI VES AND RELATED COMPOUNDS AS MODULATORS OF ION CHANNELS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-22 WO disclosed
US-20090131440-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
US-20090124655-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
EP-1963281-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2008-09-03 EP disclosed
US-7365178-B2 Acyl-nucleotide probes and methods of their synthesis and use in proteomic analysis ACTIVX BIOSCIENCES, INC. (US) 2008-04-29 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
WO-2007075895-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 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 (8 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 MMP1 4415/4885MMP2 4559/4885MMP3 4273/4885
US-20090131440-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 MMP1 4782/4885MMP2 4776/4885MMP3 4797/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 MMP1 4782/4885MMP2 4776/4885MMP3 4797/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 MMP1 3883/4885MMP2 4069/4885MMP3 3390/4885
US-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 MMP1 4782/4885MMP2 4776/4885MMP3 4797/4885
US-20090124655-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 MMP1 4782/4885MMP2 4776/4885MMP3 4797/4885
US-20130338119-A1 Pyrrolidinone Benzenesulfonamide Derivatives as Modulators of Ion Channels KCNJ2, KCNN2, KCNJ1 MMP1 4557/4885MMP2 4820/4885MMP3 4633/4885
US-20100004300-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 MMP1 4782/4885MMP2 4776/4885MMP3 4797/4885

“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.