SCHEMBL5850753

SCHEMBL5850753

CC(=O)c1cc(C)c(C)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
KDM4E B2RXH2 4/20 0.68
DAO P14920 2/20 0.68
ALDH1A1 P00352 2/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
GSK3B P49841 2/20 0.38
TP53 P04637 2/20 0.38
ALOX15 P16050 2/20 0.38
GAA P10253 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL835069 0.81 DAO (1.00) MAPTKDM4EDAOALDH1A1MEN1
SCHEMBL11338456 0.79 GSK3B (0.50) MAPTKDM4EDAOALDH1A1MEN1
SCHEMBL2333545 0.79 MAPT (0.65) MAPTKDM4EDAOALDH1A1MEN1
SCHEMBL24993294 0.77 KDM4E (0.42) MAPTKDM4EDAOALDH1A1MEN1
SCHEMBL7815974 0.77 DAO (0.42) MAPTKDM4EDAOALDH1A1MEN1
SCHEMBL45690 0.77 MAPT (0.42) MAPTKDM4EDAOALDH1A1MEN1
SCHEMBL24578032 0.77 MAPT (0.42) MAPTKDM4EDAOALDH1A1MEN1
SCHEMBL10859551 0.77 DAO (0.70) MAPTKDM4EDAOALDH1A1MEN1
SCHEMBL5919500 0.77 MAPT (0.42) MAPTKDM4EDAOALDH1A1MEN1
SCHEMBL12472222 0.77 MAPT (0.42) MAPTKDM4EDAOALDH1A1MEN1

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
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 WO disclosed
US-RE49111-E1 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2022-06-21 US disclosed
EP-3153511-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE FOR USE IN THE PREVENTION OR TREATMENT OF BLADDER/URINARY TRACT DISEASES ASTELLAS PHARMA INC (JP) 2019-05-15 EP disclosed
US-9951060-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2018-04-24 US disclosed
US-9951060-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2018-04-24 US disclosed
US-9887371-B2 Organic electroluminescent device; a charge transporting material for the organic electroluminescent device; and a luminescent device, a display device and a lighting system using the organic electroluminescent device UDC IRELAND LIMITED (IE) 2018-02-06 US disclosed
US-20170197955-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2017-07-13 US disclosed
US-20170197955-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2017-07-13 US disclosed
EP-3153511-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2017-04-12 EP disclosed
US-20160260910-A1 Organic Electroluminescent Device; A Charge Transporting Material For The Organic Electroluminescent Device; And A Luminescent Device, A Display Device And A Lighting System Using The Organic Electroluminescent Device UDC IRELAND LTD (IE) 2016-09-08 US disclosed
US-7019027-B2 2-amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-28 US disclosed
US-20040180948-A1 2-Amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-09-16 US disclosed
US-6713638-B2 TREATING ISCHEMIC DISEASE, CARDIAC ARRHYTHMIAS, CHRONIC PAIN, INDUCING SLEEP IN A MAMMAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-30 US disclosed
US-20030078248-A1 2-amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-24 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 (3 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-20030078248-A1 2-amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors ADORA1, ADORA2A, ADORA3 MAPT 4206/4885KDM4E 1107/4885DAO 790/4885
US-20040180948-A1 2-Amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors ADORA1, ADORA2A, ADORA3 MAPT 4206/4885KDM4E 1107/4885DAO 790/4885
US-20170197955-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, TRPM2 MAPT 736/4885KDM4E 1610/4885DAO 1260/4885

“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.