SCHEMBL2825100

SCHEMBL2825100

CCc1nnc(NC(=O)c2csc(N(CCCN3CCOCC3)C(=O)c3cccs3)n2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
TSHR P16473 5/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 3/20 0.43
USP2 O75604 3/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.42
ALOX15 P16050 1/20 0.42
OPRK1 P41145 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 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
SCHEMBL2829858 0.86 GAA (0.46) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2828032 0.85 GLA (0.46) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2826620 0.82 NPSR1 (0.55) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2830427 0.81 TSHR (0.50) NPSR1RAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL3262775 0.81 TSHR (0.49) NPSR1RAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL3079579 0.81 TSHR (0.51) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2827752 0.80 TSHR (0.50) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2830962 0.80 POLB (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2TSHR
SCHEMBL2833321 0.80 SMN1; SMN2 (0.50) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2827969 0.79 MAPT (0.46) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2

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 NPSR1 4618/4885RAB9A 3056/4885NPC1 2003/4885

“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.