SCHEMBL4010614

SCHEMBL4010614

CC(C)CS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
KMT2A Q03164 3/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
VDR P11473 1/20 0.44
PAX8 Q06710 1/20 0.42
MMP13 P45452 3/20 0.42
MMP1 P03956 2/20 0.42
ALDH1A1 P00352 5/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL15320092 0.84 KMT2A (0.46) CA1CA2KMT2APAX8MMP13
SCHEMBL2779200 0.81 ALDH1A1 (0.57) CA1CA2KMT2ATP53MAPT
SCHEMBL4014240 0.80 KMT2A (0.47) CA1CA2KMT2AMAPTPAX8
SCHEMBL330253 0.79 PLCG1 (0.59) CA1CA2KMT2AMMP13MMP1
SCHEMBL2923150 0.79 CA2 (0.52) CA1CA2KMT2AMMP13MMP1
SCHEMBL4873168 0.79 GAA (0.61) CA1CA2KMT2AMMP13MMP1
SCHEMBL3067678 0.79 MMP13 (0.42) KMT2ATP53PAX8MMP13MMP1
SCHEMBL11951567 0.79 GAA (0.46) CA1CA2MAPTMMP13MMP1
SCHEMBL778303 0.78 PSIP1 (0.60) KMT2ATP53MAPTTHRBALDH1A1
Fluoresone SCHEMBL24999 0.78 PSIP1 (0.58) CA1CA2KMT2APAX8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
EP-2670752-B1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-03-16 EP disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 CA1 2476/4885CA2 1414/4885KMT2A 288/4885
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 CA1 2476/4885CA2 1414/4885KMT2A 288/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 CA1 2476/4885CA2 1414/4885KMT2A 288/4885
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 CA1 4548/4885CA2 4555/4885KMT2A 3305/4885

“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.