SCHEMBL2828495

SCHEMBL2828495

O=C(c1cccs1)N(CCCN1CCOCC1)c1nc(C(F)(F)F)cs1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
TSHR P16473 6/20 0.51
MAPK1 P28482 3/20 0.51
USP2 O75604 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
NPSR1 Q6W5P4 3/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 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
SCHEMBL2830282 0.87 TSHR (0.53) KDM4ETSHRMAPK1USP2MAPT
SCHEMBL14237341 0.87 TSHR (0.47) KDM4ETSHRMAPK1USP2MAPT
SCHEMBL2830427 0.85 TSHR (0.50) KDM4ETSHRMAPK1USP2MAPT
SCHEMBL3262775 0.84 TSHR (0.49) KDM4ETSHRMAPK1USP2MAPT
SCHEMBL2830271 0.84 TSHR (0.56) KDM4ETSHRMAPK1USP2MAPT
SCHEMBL3079579 0.84 TSHR (0.51) KDM4ETSHRMAPK1USP2MAPT
SCHEMBL2830054 0.84 TSHR (0.54) KDM4ETSHRMAPK1USP2MAPT
SCHEMBL14237377 0.84 TSHR (0.45) KDM4ETSHRMAPK1USP2MAPT
SCHEMBL2827302 0.83 TSHR (0.46) KDM4ETSHRMAPK1USP2MAPT
SCHEMBL2826380 0.83 SMN1; SMN2 (0.67) KDM4ETSHRMAPK1USP2MAPT

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 KDM4E 3385/4885TSHR 2723/4885MAPK1 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.