SCHEMBL2828585

SCHEMBL2828585

CCN(CC)CCCN(C(=O)c1cccs1)c1nc(-c2cc(OC)ccc2OC)cs1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.76
ALDH1A1 P00352 4/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
MAPK1 P28482 1/20 0.75
ATM Q13315 1/20 0.75
KDM4E B2RXH2 5/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
HPGD P15428 2/20 0.67
OPRM1 P35372 1/20 0.62
OPRD1 P41143 1/20 0.62
MAPT P10636 3/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HSD17B10 Q99714 1/20 0.59
KMT2A Q03164 7/20 0.58
RAD52 P43351 3/20 0.58
MEN1 O00255 3/20 0.56
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.52

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
SCHEMBL2830082 0.91 TSHR (0.74) TSHRALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL2829137 0.88 TSHR (0.77) TSHRALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL2826788 0.86 TSHR (0.79) TSHRALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL2831357 0.85 TSHR (0.64) TSHRALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL2829678 0.85 TSHR (0.64) TSHRALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL2829988 0.85 TSHR (0.81) TSHRALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL2826329 0.85 TSHR (0.72) TSHRALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL2833510 0.85 KMT2A (0.77) TSHRALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL2832243 0.84 TSHR (0.63) TSHRALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL2830490 0.84 TSHR (0.63) TSHRALDH1A1SMN1; SMN2MAPK1ATM

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 6 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 claimed
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 TSHR 2723/4885ALDH1A1 554/4885SMN1; SMN2 4020/4885

“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.