SCHEMBL4221670

SCHEMBL4221670

CC(C)(C)OC(=O)NC(C)(C(=O)O)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.47
CTSS P25774 4/20 0.43
CTSK P43235 2/20 0.43
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SYK P43405 1/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LMNA P02545 1/20 0.38
TYR P14679 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
SCHEMBL19331927 1.00 MIF (0.47) MIFCTSSCTSKESR1ESR2
SCHEMBL27159397 0.87 PPARA (0.41) CTSSCTSKALDH1A1SYKPPARA
SCHEMBL27159394 0.87 PPARA (0.41) CTSSCTSKALDH1A1SYKPPARA
SCHEMBL1951666 0.87 CA12 (0.47) CTSSCTSKSYKPPARAMEN1
SCHEMBL1951583 0.87 CA12 (0.47) CTSSCTSKSYKPPARAMEN1
SCHEMBL2953752 0.87 CA12 (0.47) CTSSCTSKSYKPPARAMEN1
SCHEMBL19347771 0.86 MIF (0.46) MIFCTSSCTSKESR1ESR2
SCHEMBL1208679 0.86 NPC1 (0.48) CTSSCTSKALDH1A1MEN1NPC1
SCHEMBL3946429 0.86 GAA (0.44) CYP3A4ALDH1A1PPARAMEN1NPC1
SCHEMBL27159043 0.86 GAA (0.44) CYP3A4ALDH1A1PPARAMEN1NPC1

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-20260008758-A1 LINEAR DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF INSMED INCORPORATED 2026-01-08 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-6812227-B2 SULFUR COMPOUNDS SUCH AS 2-((4-BUT-2-YNYLOXY-BENZENESULFONYL)-METHYL-AMINO)-N-HYDROXY-3-METHYL -BUTYRAMIDE, USED AS TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE) INHIBITORS, FOR PROPHYLAXIS OF RHEUMATIC DISEASES, SEPSIS OR INFLAMMATION WYETH HOLDINGS CORPORATION 2004-11-02 US disclosed
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2003-11-13 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 (3 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-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof SLC18A2, SLC1A2, SLC1A1 MIF 2795/4885CTSS 3093/4885CTSK 3650/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 MIF 470/4885CTSS 143/4885CTSK 545/4885
US-20260008758-A1 LINEAR DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF DPP3, DPP7, DPP9 MIF 4248/4885CTSS 265/4885CTSK 82/4885

“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.