SCHEMBL4889480

SCHEMBL4889480

CC(C)(C)OC(=O)NC(=Nc1ccc(C#N)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
EGLN2 Q96KS0 2/20 0.42
NPFFR1 Q9GZQ6 2/20 0.39
NPFFR2 Q9Y5X5 2/20 0.39
GPR119 Q8TDV5 2/20 0.37
ABCC9 O60706 1/20 0.37
KCNJ11 Q14654 1/20 0.37
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
KIF11 P52732 1/20 0.36
MGLL Q99685 1/20 0.35
PTPN11 Q06124 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL30897414 0.81 GAA (0.44) NOS3NOS1NPFFR1NPFFR2PPARA
SCHEMBL4882935 0.81 NPFFR1 (0.41) NPFFR1NPFFR2
SCHEMBL7043632 0.80 NPFFR1 (0.47) NPFFR1NPFFR2CTSSCTSK
SCHEMBL29598182 0.79 NOS3 (0.45) NOS3NOS1NPFFR1NPFFR2PPARA
SCHEMBL5846799 0.79 ALDH1A1 (0.52) EGLN2GPR119MGLLPTPN11CTSS
SCHEMBL3804463 0.78 NPFFR1 (0.46) NOS3NOS1NPFFR1NPFFR2GPR119
SCHEMBL3798328 0.78 MIF (0.43) NPFFR1NPFFR2
SCHEMBL1457556 0.78 PRSS1 (0.49) EGLN2PPARA
SCHEMBL17560513 0.78 ABCC9 (0.47) EGLN2ABCC9KCNJ11PTPN11
SCHEMBL17560512 0.78 ABCC9 (0.47) EGLN2ABCC9KCNJ11PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071650-B2 Vanilloid receptor modulators; analgesic, antiinflammatory and antiulcer effects; such as 1-(1H-indol-5-ylmethyl)-3-phenethylthiourea PACIFIC CORPORATION (KR) 2011-12-06 US disclosed
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 US disclosed
US-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-08-14 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-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TAS2R40, TAS1R2, TAS2R45 NOS3 871/4885NOS1 753/4885EGLN2 3628/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 NOS3 561/4885NOS1 595/4885EGLN2 4141/4885

“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.