SCHEMBL10189374

SCHEMBL10189374

CC(C)(C)OC(=O)NC(Cc1cc(O)ccc1C(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
TACR1 P25103 2/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.41
MAP1LC3A Q9H492 1/20 0.41
ACE P12821 1/20 0.41
KLK5 Q9Y337 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
SCN9A Q15858 1/20 0.39
LY96 Q9Y6Y9 1/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
NQO2 P16083 1/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38

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
SCHEMBL31689503 0.86 TACR1 (0.48) CTSSCTSKTACR1MAP1LC3BMAP1LC3A
SCHEMBL19720254 0.86 TACR1 (0.48) CTSSCTSKTACR1MAP1LC3BMAP1LC3A
SCHEMBL15856088 0.85 CTSS (0.46) CTSSCTSKTACR1MAP1LC3BMAP1LC3A
SCHEMBL19720234 0.85 CTSS (0.46) CTSSCTSKTACR1MAP1LC3BMAP1LC3A
SCHEMBL10189165 0.85 CTSS (0.51) CTSSCTSKTACR1MAP1LC3BMAP1LC3A
SCHEMBL15856090 0.85 CTSS (0.46) CTSSCTSKTACR1MAP1LC3BMAP1LC3A
SCHEMBL15856127 0.85 CTSS (0.51) CTSSCTSKTACR1MAP1LC3BMAP1LC3A
SCHEMBL15130543 0.84 ITGA4 (0.38) CTSSCTSKTACR1LY96NQO2
SCHEMBL17527093 0.81 CTSS (0.43) CTSSCTSKTACR1MAP1LC3BMAP1LC3A
SCHEMBL31725706 0.81 CTSS (0.48) CTSSCTSKTACR1MAP1LC3BMAP1LC3A

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-20130190529-A1 Fluorine Radiolabelling Process ISIS INNOVATION LIMITED (GB) 2013-07-25 US disclosed
US-20130190529-A1 Fluorine Radiolabelling Process ISIS INNOVATION LIMITED (GB) 2013-07-25 US disclosed
WO-2012004567-A2 FLUORINE RADIOLABELLING PROCESS ISIS INNOVATION LIMITED (GB) 2012-01-12 WO 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-20130190529-A1 Fluorine Radiolabelling Process ESRRG, NR5A2, RXFP4 CTSS 2694/4885CTSK 2408/4885TACR1 666/4885

“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.