SCHEMBL3584866

SCHEMBL3584866

CC(C)(C)OC(=O)COc1cccc(C(=O)Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
PLA2G4B P0C869 1/20 0.43
KMT2A Q03164 4/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOB P27338 3/20 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
SCHEMBL1928759 0.87 KMT2A (0.57) PLA2G4BKMT2ANR4A1NR4A2NR4A3
SCHEMBL499346 0.87 MAOB (0.55) KMT2AMAPTMAOBMAOAMEN1
SCHEMBL17024452 0.86 LMNA (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5047908 0.86 PARP1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22251779 0.84 HPGD (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5353265 0.84 SMN1; SMN2 (0.53) KMT2AMAPTPOLBCYP2C9CYP2C19
SCHEMBL9127435 0.84 KMT2A (0.56) KMT2AGAALMNAPOLBCYP2C9
SCHEMBL18038110 0.83 KMT2A (0.48) KMT2AMAPTLMNACYP2C9CYP2C19
SCHEMBL8556615 0.83 POLB (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14501385 0.82 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA PSEN1 3911/4885PSEN2 3996/4885APH1B 1132/4885

“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.