SCHEMBL3996571

SCHEMBL3996571

COC(=O)c1ccccc1OCCc1ccc(OCC(=O)N(Cc2ccc(C(F)(F)F)cc2)CC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.43
TRPM8 Q7Z2W7 3/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
ABCB1 P08183 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39
PPARA Q07869 3/20 0.38
PPARD Q03181 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL3996205 0.91 PSMB5 (0.43) PSMB5TRPM8HSP90AA1HSP90AB1PDK1
SCHEMBL6161238 0.83 SLC2A1 (0.44) SIRT2ABCB1TP53MAPTLPAR1
SCHEMBL4963925 0.82 TRPM8 (0.49) TRPM8TP53GAAMAPTMEN1
SCHEMBL4962717 0.82 TRPM8 (0.53) TRPM8TP53GAAMAPTTHRB
SCHEMBL4962776 0.81 TRPM8 (0.54) PSMB5TRPM8TP53GAAMAPT
SCHEMBL4963743 0.81 TRPM8 (0.59) TRPM8HSP90AA1HSP90AB1PDK1PDK2
SCHEMBL6160055 0.80 SIRT2 (0.41) PSMB5SIRT2ABCB1PPARAPPARD
SCHEMBL6160047 0.78 SIRT2 (0.39) PSMB5SIRT2ABCB1PPARAPPARD
SCHEMBL4963522 0.78 PPARG (0.43) TRPM8TP53MAPTLPAR1LPAR5
SCHEMBL4965244 0.76 MAPT (0.46) TRPM8TP53GAAMAPTPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521461-B2 Benzoic acid derivatives as modulators of PPAR alpha and gamma ASTRAZENECA AB (SE) 2009-04-21 US disclosed
US-20050267149-A1 Benzoic acid derivatives as modulators of ppar alpha and gamma ASTRAZENECA AB (SE) 2005-12-01 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 (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-20050267149-A1 Benzoic acid derivatives as modulators of ppar alpha and gamma PPARG, NR4A1, NR0B1 PSMB5 729/4885TRPM8 1046/4885HSP90AA1 1568/4885

“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.