SCHEMBL3262775

SCHEMBL3262775

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPK1 P28482 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
USP2 O75604 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48
LMNA P02545 5/20 0.47
KMT2A Q03164 1/20 0.45
NOS3 P29474 3/20 0.43
NOS1 P29475 3/20 0.43
NOS2 P35228 2/20 0.43
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 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
SCHEMBL2830427 0.91 TSHR (0.50) TSHRSMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL2827752 0.87 TSHR (0.50) TSHRSMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL2826384 0.86 TSHR (0.59) TSHRSMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL2828038 0.86 LMNA (0.45) TSHRSMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL3079579 0.85 TSHR (0.51) TSHRSMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL2830271 0.85 TSHR (0.56) TSHRSMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL2828495 0.84 KDM4E (0.51) TSHRSMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL2826380 0.84 SMN1; SMN2 (0.67) TSHRSMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL2829525 0.84 TSHR (0.61) TSHRSMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL2828032 0.84 GLA (0.46) TSHRSMN1; SMN2MAPK1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795290-B2 2-amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2010-09-14 US disclosed
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 disclosed
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 disclosed
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof SQUARE 1 BANK 2006-03-09 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 (2 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 TSHR 2723/4885SMN1; SMN2 4020/4885MAPK1 3940/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK TSHR 2723/4885SMN1; SMN2 4020/4885MAPK1 3940/4885

“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.