SCHEMBL6584558

SCHEMBL6584558

CC(=O)NC(C)(CO)CO

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 1/20 0.38
EPHX1 P07099 1/20 0.36
THRB P10828 1/20 0.33
CA2 P00918 1/20 0.33
PTGS1 P23219 1/20 0.33
MMP12 P39900 1/20 0.33
HTT P42858 1/20 0.32
NFKB1 P19838 1/20 0.32
ACACB O00763 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL19512291 0.80 KMT2A (0.39) KDM4EPKMKMT2A
SCHEMBL25763073 0.80 KMT2A (0.39) KDM4EPKMKMT2A
SCHEMBL20899705 0.78 KMT2A (0.38) KDM4EPKMKMT2A
SCHEMBL4577529 0.78 KMT2A (0.38) KDM4EPKMKMT2AHIF1A
SCHEMBL2857868 0.78
SCHEMBL9913289 0.78 KDM4E (0.39) KDM4EPKMKMT2AEPHX1THRB
SCHEMBL14902212 0.77 KMT2A (0.35) KDM4EPKMKMT2AHTT
SCHEMBL13016481 0.76 KMT2A (0.37) PKMKMT2A
SCHEMBL13890770 0.76 KMT2A (0.37) KMT2A
SCHEMBL15789667 0.76 KMT2A (0.37) KMT2ACA2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602759-B Method for preparing a composition of alkanolamine alkylamide and polyol 阿克苏诺贝尔化学品国际有限公司 2023-10-27 CN disclosed
EP-3545009-B1 PHOTOINITATORS COLOPLAST AS (DK) 2021-07-21 EP disclosed
US-10266486-B2 Method of making a composition of an alkanolamine alkylamide and a polyol AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2019-04-23 US disclosed
US-20190031598-A1 METHOD OF MAKING A COMPOSITION OF AN ALKANOLAMINE ALKYLAMIDE AND A POLYOL NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2019-01-31 US disclosed
EP-2863916-B1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
WO-2018095495-A1 PHOTOINITATORS COLOPLAST A/S (DK) 2018-05-31 WO disclosed
EP-3091011-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-12-27 EP disclosed
WO-2017129272-A1 METHOD OF MAKING A COMPOSITION OF AN ALKANOLAMINE ALKYLAMIDE AND A POLYOL AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2017-08-03 WO disclosed
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-06 US disclosed
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-09-22 US disclosed
US-8912199-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-16 US disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 US disclosed
US-20140057906-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-27 US disclosed
US-20140038941-A1 RING-FUSED HETEROCYCLIC DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-02-06 US disclosed
US-20140038941-A1 RING-FUSED HETEROCYCLIC DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-02-06 US disclosed
US-8623905-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-07 US disclosed
US-8575209-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
EP-1255751-B1 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND THEIR USE AS LIGANDS FOR V1B OR V1B AND V1A ARGININE-VASOPRESSIN RECEPTORS SANOFI SYNTHELABO (FR) 2004-06-16 EP 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 (9 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-20190031598-A1 METHOD OF MAKING A COMPOSITION OF AN ALKANOLAMINE ALKYLAMIDE AND A POLYOL PHOSPHO1, SGMS2, SGMS1 KDM4E 3170/4885PKM 1427/4885KMT2A 691/4885
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4235/4885PKM 3330/4885KMT2A 4313/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 KDM4E 4481/4885PKM 2352/4885KMT2A 4359/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 KDM4E 4481/4885PKM 2352/4885KMT2A 4359/4885
US-20140057906-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4235/4885PKM 3330/4885KMT2A 4313/4885
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4235/4885PKM 3330/4885KMT2A 4313/4885
US-20140038941-A1 RING-FUSED HETEROCYCLIC DERIVATIVE CACNA1E, SLC8A1, CALCR KDM4E 3779/4885PKM 4852/4885KMT2A 3414/4885
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4235/4885PKM 3330/4885KMT2A 4313/4885
US-10266486-B2 Method of making a composition of an alkanolamine alkylamide and a polyol PHOSPHO1, SGMS2, SGMS1 KDM4E 3170/4885PKM 1427/4885KMT2A 691/4885

“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.