SCHEMBL2828032

SCHEMBL2828032

O=C(Nc1nccs1)c1csc(N(CCCN2CCOCC2)C(=O)c2cccs2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
TRPV4 Q9HBA0 1/20 0.46
TSHR P16473 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CASR P41180 1/20 0.46
MAPK1 P28482 3/20 0.44
MAPT P10636 3/20 0.44
USP2 O75604 2/20 0.44
CYP2D6 P10635 1/20 0.43
ADORA2A P29274 1/20 0.43
LMNA P02545 4/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL2829858 0.88 GAA (0.46) GLAGAATSHRSMN1; SMN2KDM4E
SCHEMBL2825100 0.85 NPSR1 (0.49) GLAGAATSHRSMN1; SMN2KDM4E
SCHEMBL2830427 0.84 TSHR (0.50) GLAGAATSHRSMN1; SMN2KDM4E
SCHEMBL3262775 0.84 TSHR (0.49) GLAGAATSHRSMN1; SMN2KDM4E
SCHEMBL2833321 0.83 SMN1; SMN2 (0.50) GLAGAATSHRSMN1; SMN2KDM4E
SCHEMBL2833450 0.83 MAPT (0.48) GLAGAATSHRSMN1; SMN2KDM4E
SCHEMBL2826620 0.82 NPSR1 (0.55) TRPV4TSHRSMN1; SMN2NPSR1MAPK1
SCHEMBL2828038 0.82 LMNA (0.45) GLAGAATSHRSMN1; SMN2KDM4E
SCHEMBL2830962 0.82 POLB (0.50) GAATSHRSMN1; SMN2CASRMAPK1
SCHEMBL2827969 0.81 MAPT (0.46) GLAGAATSHRSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168578-A2 2-Amido-Thiazole-Based Compounds Exhibiting ATP-Utilizing Enzyme Inhibitory Activity, and Compositions, and Uses Thereof Genentech, Inc. (US) 2010-03-31 EP claimed
US-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2009-02-19 US claimed
US-7410988-B2 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2008-08-12 US claimed
EP-2620150-A2 2-Amido Thiazole Based Inhibitors of ATP-Utilizing Enyzmes Genentech, Inc. (US) 2013-07-31 EP disclosed
EP-2168578-A2 2-Amido-Thiazole-Based Compounds Exhibiting ATP-Utilizing Enzyme Inhibitory Activity, and Compositions, and Uses Thereof Genentech, Inc. (US) 2010-03-31 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 (1 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-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF ATP5ME, ATP5MG, ATP5MK GLA 814/4885GAA 59/4885TRPV4 3318/4885

“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.