SCHEMBL4161689

SCHEMBL4161689

CC(=O)c1cc2cc(O)ccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 12/20 1.00
DYRK1B Q9Y463 10/20 1.00
CLK1 P49759 9/20 1.00
HSD17B1 P14061 3/20 0.57
CA2 P00918 1/20 0.49
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
BRCA1 P38398 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BCL2L1 Q07817 1/20 0.42

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
SCHEMBL15961987 0.85 DYRK1A (0.74) DYRK1ADYRK1BCLK1HSD17B1CA2
SCHEMBL2194399 0.83 DYRK1A (0.71) DYRK1ADYRK1BCLK1HSD17B1CA2
SCHEMBL6840172 0.81 DYRK1A (0.69) DYRK1ADYRK1BCLK1HSD17B1LMNA
SCHEMBL7075713 0.81 DYRK1A (0.69) DYRK1ADYRK1BCLK1HSD17B1CA2
SCHEMBL3641925 0.81 DYRK1A (0.68) DYRK1ADYRK1BCLK1HSD17B1CA2
SCHEMBL13036384 0.80 DYRK1A (0.67) DYRK1ADYRK1BCLK1HSD17B1LMNA
SCHEMBL13036381 0.80 CLK1 (0.67) DYRK1ADYRK1BCLK1HSD17B1LMNA
SCHEMBL17988510 0.80 CLK1 (0.67) DYRK1ADYRK1BCLK1LMNAKDM4E
SCHEMBL121775 0.80 LMNA (0.69) DYRK1ADYRK1BCLK1LMNABCL2L1
SCHEMBL9612673 0.79 DYRK1A (0.65) DYRK1ADYRK1BCLK1HSD17B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 US disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-20060199788-A1 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. 2006-09-07 US disclosed
EP-1663254-A2 ANTI-INFLAMATORY PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
US-6900216-B2 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents KNOLL GMBH (DE) 2005-05-31 US disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 WO disclosed
US-20030166628-A1 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents KNOLL GMBH (DE) 2003-09-04 US disclosed
EP-1268489-A1 DIHYDROIMIDAZO[2,1-B]THIAZOLE AND DIHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINES AS ANTIDEPRESSANT AGENTS Knoll GmbH (DE) 2003-01-02 EP disclosed
WO-2001068653-A1 DIHYDROIMIDAZO[2,1-B]THIAZOLE AND DIHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINES AS ANTIDEPRESSANT AGENTS KNOLL GMBH (DE) 2001-09-20 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-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 DYRK1A 2939/4885DYRK1B 3081/4885CLK1 1590/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES DYRK1A 4499/4885DYRK1B 4663/4885CLK1 4222/4885
US-20030166628-A1 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents GPR119, HTR3B, HTR2B DYRK1A 2096/4885DYRK1B 1989/4885CLK1 3230/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES DYRK1A 4499/4885DYRK1B 4663/4885CLK1 4222/4885

“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.