SCHEMBL4200738

SCHEMBL4200738

COC(=O)CCSCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
HSD17B10 Q99714 3/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
BHMT Q93088 1/20 0.41
MEN1 O00255 1/20 0.39
SLC1A1 P43005 1/20 0.38
MVD P53602 1/20 0.38
CYP1A2 P05177 1/20 0.38
CA12 O43570 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
SCHEMBL1845437 0.86 TSHR (0.55) TSHRHSD17B10MAPTKMT2ALMNA
SCHEMBL18457289 0.86 TSHR (0.55) TSHRHSD17B10CYP2D6HIF1AGMNN
SCHEMBL579015 0.84 HSD17B10 (0.64) TSHRHSD17B10MAPTKMT2ALMNA
SCHEMBL112204 0.84 TSHR (0.63) TSHRHSD17B10POLBMAPTKMT2A
SCHEMBL7292825 0.83 HSD17B10 (0.54) TSHRHSD17B10GMNNTP53POLB
SCHEMBL9589394 0.83 TSHR (0.50) TSHRHSD17B10MAPTKMT2ALMNA
SCHEMBL1648192 0.82 CYP2D6 (0.50) TSHRHSD17B10CYP2D6HIF1AGMNN
SCHEMBL15282755 0.81 TSHR (0.60) TSHRHSD17B10POLBMAPTKMT2A
SCHEMBL5839442 0.81 TSHR (0.48) TSHRHSD17B10MAPTKMT2ALMNA
SCHEMBL5283413 0.81 TSHR (0.48) TSHRHSD17B10MAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-7482376-B2 Conjugated complement cascade inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2009-01-27 US disclosed
US-7482376-B2 Conjugated complement cascade inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2009-01-27 US disclosed
US-7482376-B2 Conjugated complement cascade inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2009-01-27 US disclosed
EP-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 WO disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
EP-1644046-A2 CONJUGATED COMPLEMENT CASCADE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2006-04-12 EP disclosed
WO-2005002627-A2 CONJUGATED COMPLEMENT CASCADE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-01-13 WO disclosed
US-20050004031-A1 Conjugated complement cascade inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA2C TSHR 579/4885HSD17B10 621/4885CYP2D6 496/4885
US-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 TSHR 2191/4885HSD17B10 684/4885CYP2D6 3759/4885
US-20050004031-A1 Conjugated complement cascade inhibitors C9, CFH, CFB TSHR 2818/4885HSD17B10 2254/4885CYP2D6 2085/4885

“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.