SCHEMBL5111472

SCHEMBL5111472

COC(=O)C(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.74
MEN1 O00255 1/20 0.74
ABCC4 O15439 1/20 0.74
C5 P01031 1/20 0.74
MAPT P10636 1/20 0.74
PTGS1 P23219 1/20 0.74
KMT2A Q03164 1/20 0.74
PDE4D Q08499 1/20 0.74
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
MT-CO2 P00403 1/20 0.45
SIRT1 Q96EB6 1/20 0.43
NR4A2 P43354 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41

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
SCHEMBL31324198 1.00 PTGS2 (0.74) PTGS2MEN1ABCC4C5MAPT
SCHEMBL31324162 0.93 PTGS2 (0.64) PTGS2MEN1ABCC4C5MAPT
SCHEMBL11398303 0.88 PTGS2 (0.71) PTGS2MEN1ABCC4C5MAPT
Carprofen SCHEMBL30910975 0.85 PTGS2 (1.00) PTGS2MEN1ABCC4C5MAPT
Carprofen SCHEMBL3910 0.85 PTGS2 (1.00) PTGS2MEN1ABCC4C5MAPT
Carprofen SCHEMBL3698103 0.85 PTGS2 (1.00) PTGS2MEN1ABCC4C5MAPT
Carprofen SCHEMBL30910956 0.85 PTGS2 (1.00) PTGS2MEN1ABCC4C5MAPT
Carprofen SCHEMBL3909 0.85 PTGS2 (1.00) PTGS2MEN1ABCC4C5MAPT
Carprofen SCHEMBL5055325 0.85 PTGS2 (1.00) PTGS2MEN1ABCC4C5MAPT
Carprofen SCHEMBL30910972 0.85 PTGS2 (1.00) PTGS2MEN1ABCC4C5MAPT

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-7332516-B2 Geminally di-substituted NSAID derivatives as Aβ42 lowering agents MERCK + CO., INC. (US) 2008-02-19 US disclosed
EP-1587798-A4 GEMINALLY DI-SUBSTITUTED NSAID DERIVATIVES AS ABETA 42 LOWERING AGENTS MERCK & CO INC (US) 2007-06-27 EP disclosed
US-20060063937-A1 Geminallyl di-substituted nsaid derivatives as abeta 42 lowering agents MERCK SHARP & DOHME CORP. 2006-03-23 US disclosed
EP-1587798-A2 GEMINALLY DI-SUBSTITUTED NSAID DERIVATIVES AS ABETA 42 LOWERING AGENTS Merck & Co., Inc. (US) 2005-10-26 EP disclosed
WO-2004064771-A2 GEMINALLY DI-SUBSTITUTED NSAID DERIVATIVES AS ABETA 42 LOWERING AGENTS MERCK & CO., INC. (US) 2004-08-05 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-20060063937-A1 Geminallyl di-substituted nsaid derivatives as abeta 42 lowering agents APP, PSEN1, CA1 PTGS2 59/4885MEN1 1296/4885ABCC4 457/4885

“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.