SCHEMBL12375464

SCHEMBL12375464

CC(C)(C)C(=O)Nc1ccc(Oc2cc(CC(=O)O)ccc2OC(F)F)c(CS(=O)(=O)CC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
LMNA P02545 4/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
PTGDR2 Q9Y5Y4 8/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CYP26A1 O43174 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGDR Q13258 1/20 0.34
PDE4A P27815 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
SCHEMBL12375376 0.91 CYP3A4 (0.67) CYP3A4ALDH1A1PTGDR2L3MBTL1GAA
SCHEMBL1568922 0.87 CYP3A4 (0.54) CYP3A4LMNAMEN1MAPTKMT2A
SCHEMBL350059 0.84 CYP3A4 (0.64) CYP3A4LMNAMEN1MAPTKMT2A
SCHEMBL27828192 0.82 CYP3A4 (0.49) CYP3A4LMNAMEN1MAPTKMT2A
SCHEMBL27828193 0.82 CYP3A4 (0.53) CYP3A4LMNAMEN1MAPTKMT2A
SCHEMBL1568923 0.80 CYP3A4 (0.49) CYP3A4LMNAMEN1MAPTKMT2A
SCHEMBL12375407 0.80 CYP3A4 (0.45) CYP3A4LMNAALDH1A1PTGDR2L3MBTL1
SCHEMBL12375393 0.80 CYP3A4 (0.45) CYP3A4LMNAPTGDR2L3MBTL1GAA
SCHEMBL348006 0.80 CYP3A4 (0.69) CYP3A4ALDH1A1PTGDR2L3MBTL1GAA
SCHEMBL28787420 0.79 CYP3A4 (0.52) CYP3A4LMNAMEN1MAPTKMT2A

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-8071807-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-12-06 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 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 (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-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885LMNA 2277/4885MEN1 4751/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885LMNA 2161/4885MEN1 4760/4885

“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.