SCHEMBL2829988

SCHEMBL2829988

CCN(CC)CCCN(C(=O)c1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.81
KDM4E B2RXH2 3/20 0.81
SMN1; SMN2 Q16637 3/20 0.81
HPGD P15428 2/20 0.81
HSD17B10 Q99714 1/20 0.81
ALDH1A1 P00352 4/20 0.73
MAPT P10636 3/20 0.73
APEX1 P27695 1/20 0.73
MAPK1 P28482 2/20 0.72
ATM Q13315 1/20 0.72
KMT2A Q03164 8/20 0.69
MEN1 O00255 4/20 0.69
RXFP1 Q9HBX9 1/20 0.69
RAD52 P43351 4/20 0.64
L3MBTL1 Q9Y468 3/20 0.62
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
LMNA P02545 1/20 0.54

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
SCHEMBL2829137 0.86 TSHR (0.77) TSHRKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL2829557 0.85 TSHR (0.77) TSHRKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL2826713 0.85 TSHR (0.76) TSHRKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL2827006 0.85 TSHR (0.76) TSHRKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL2830296 0.85 TSHR (0.76) TSHRKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL2828585 0.85 TSHR (0.76) TSHRKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL2830347 0.84 MAPK1 (0.78) TSHRKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL2826329 0.83 TSHR (0.72) TSHRKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL2833510 0.83 KMT2A (0.77) TSHRKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL2827063 0.80 KMT2A (0.84) TSHRKDM4ESMN1; SMN2HSD17B10ALDH1A1

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 2723/4885KDM4E 3385/4885SMN1; 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.