SCHEMBL2833450

SCHEMBL2833450

O=C(Nc1ccc2ncsc2c1)c1csc(N(CCCN2CCOCC2)C(=O)c2cccs2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 4/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 3/20 0.41
USP2 O75604 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
IRAK4 Q9NWZ3 4/20 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
SCHEMBL2833321 0.86 SMN1; SMN2 (0.50) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL2828038 0.84 LMNA (0.45) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL2830962 0.83 POLB (0.50) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL2827969 0.83 MAPT (0.46) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL2828032 0.83 GLA (0.46) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL2829858 0.82 GAA (0.46) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL2830427 0.80 TSHR (0.50) MAPTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL3262775 0.79 TSHR (0.49) MAPTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2826926 0.78 TSHR (0.50) MAPTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2825100 0.78 NPSR1 (0.49) MAPTLMNAALDH1A1SMN1; SMN2NPC1

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 MAPT 3561/4885LMNA 4104/4885ALDH1A1 554/4885

“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.