SCHEMBL3265221

SCHEMBL3265221

CCOC(=O)CC(=O)N(Cc1ccc(Br)cc1)C1=C(C(=O)O)C(C)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.35
▸ ACE P12821 1/20 0.35
▸ CHRM2 P08172 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ TAS2R14 Q9NYV8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ TSPO P30536 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL3265220 0.76 LMNA (0.37) MMEACECHRM2CHRM1CHRM3
SCHEMBL27787074 0.64 MAPT (0.56) ALDH1A1MAPTKMT2ALMNAHPGD
SCHEMBL17629532 0.63 ALDH1A1 (0.37) ALDH1A1MAPTNPSR1
SCHEMBL4812296 0.63 KMT2A (0.48) ALDH1A1MAPTKMT2ALMNAHPGD
SCHEMBL4733 0.62 CYP1A2 (0.55) ALDH1A1MAPTKMT2ALMNAHPGD
SCHEMBL25423720 0.62 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ALMNAHPGD
SCHEMBL28394950 0.61 ALDH1A1 (0.52) CHRM2CHRM1CHRM3TAS2R14ALDH1A1
SCHEMBL15692219 0.61 KMT2A (0.46) MMEACETAS2R14ALDH1A1MAPT
Benzene SCHEMBL29172594 0.61 CYP4F2 (0.68) ALDH1A1MAPTKMT2ALMNAHPGD
SCHEMBL28020391 0.60 MME (0.43) MMEACEALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 — — US disclosed
EP-2257170-B1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME (US) 2012-12-26 — — EP disclosed
US-20100331358-A1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME LLC 2010-12-30 — — US disclosed
EP-2257170-A1 TETRAHYDROFUROPYRIDONES Merck Sharp & Dohme Corp. (US) 2010-12-08 — — EP disclosed
WO-2009108496-A1 TETRAHYDROFUROPYRIDONES MERCK & CO., INC. (US) 2009-09-03 — — 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-20100331358-A1 TETRAHYDROFUROPYRIDONES HIF1AN, EGLN3, HIF1A MME 3335/4885ACE 2666/4885CHRM2 4883/4885

“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.

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