SCHEMBL3201982

SCHEMBL3201982

COc1cccc(C(=O)N(c2ccccc2)c2nccs2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.45
KMT2A Q03164 5/20 0.43
GAA P10253 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
CTSA P10619 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
RORC P51449 1/20 0.39

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
SCHEMBL3201018 0.91 NPC1 (0.46) KMT2AGAAMEN1KDM4ERAB9A
SCHEMBL3194076 0.77 LMNA (0.43) TRPM8KMT2AGAAALDH1A1MEN1
SCHEMBL27930079 0.75 LMNA (0.50) TRPM8KMT2AGAAALDH1A1MEN1
SCHEMBL12503021 0.74 SCD (0.47) TRPM8GAAALDH1A1KDM4ETDP1
SCHEMBL2772989 0.73 LMNA (0.51) TRPM8KMT2AALDH1A1MEN1HPGD
SCHEMBL2772986 0.73 LMNA (0.51) TRPM8KMT2AALDH1A1MEN1NPSR1
SCHEMBL1896858 0.73 LMNA (0.53) TRPM8KMT2AALDH1A1MEN1NPSR1
SCHEMBL1325354 0.70 LMNA (0.51) TRPM8KMT2AGAAALDH1A1MEN1
SCHEMBL665075 0.70 LMNA (0.48) TRPM8KMT2AALDH1A1MEN1KDM4E
SCHEMBL17439454 0.70 LMNA (0.48) TRPM8KMT2AMEN1NPSR1RAB9A

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 TRPM8 2783/4885KMT2A 3547/4885GAA 59/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK TRPM8 2783/4885KMT2A 3547/4885GAA 59/4885

“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.