SCHEMBL4128817

SCHEMBL4128817

COC(=O)C(C)(C)CCCc1ccc(C(=O)Cl)cc1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.38
NR1H4 Q96RI1 2/20 0.38
DPP4 P27487 2/20 0.35
ELANE P08246 2/20 0.35
MAOB P27338 1/20 0.34
MTNR1B P49286 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL4133369 0.89 DPP4 (0.41) EPHX2NR1H4DPP4
SCHEMBL4129232 0.89 EPHX2 (0.49) EPHX2NR1H4ELANE
SCHEMBL1803021 0.79 CYP4A11 (0.45) NR1H4ELANEHDAC8
SCHEMBL4131047 0.73 CYP4A11 (0.41) ELANEHDAC1HDAC8
SCHEMBL4123049 0.71 CES2 (0.41) EPHX2NR1H4DPP4MAOB
SCHEMBL7951244 0.69 CHRNA1 (0.43) DPP4MAOB
SCHEMBL1799386 0.69 RARB (0.50) EPHX2NR1H4
SCHEMBL19304427 0.69 L3MBTL1 (0.48) DPP4
SCHEMBL3049461 0.68 CES2 (0.41) EPHX2NR1H4DPP4MAOBHDAC8
SCHEMBL24213970 0.68 NOTUM (0.46) EPHX2NR1H4DPP4

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-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 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 (2 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 EPHX2 390/4885NR1H4 105/4885DPP4 4223/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 EPHX2 390/4885NR1H4 105/4885DPP4 4223/4885

“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.