SCHEMBL4887467

SCHEMBL4887467

CSC(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.59
MAPT P10636 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
FPR3 P25089 1/20 0.50
FPR2 P25090 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
XBP1 P17861 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
GAA P10253 1/20 0.47
CYP17A1 P05093 1/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PTPN11 Q06124 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.44
BRD4 O60885 1/20 0.43

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
SCHEMBL19694494 0.85 NAMPT (0.62) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL3180689 0.84 L3MBTL1 (0.61) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL16193025 0.84 NAMPT (0.60) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL8253777 0.84 NAMPT (0.60) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL2589540 0.84 NAMPT (0.60) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL23899245 0.83 NAMPT (0.72) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL8258345 0.83 NAMPT (0.59) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL28731111 0.83 NAMPT (0.59) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL732456 0.82 NAMPT (0.57) NAMPTMAPTTDP1FPR3FPR2
SCHEMBL5595635 0.82 NAMPT (0.58) NAMPTMAPTTDP1FPR3FPR2

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 7 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-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-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-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 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 NAMPT 2112/4885MAPT 1674/4885TDP1 2652/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 NAMPT 2400/4885MAPT 3462/4885TDP1 3230/4885

“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.