SCHEMBL2280180

SCHEMBL2280180

CCOC(=O)Cc1cc(Oc2ccc(NC(=O)C(C)(C)C)cc2CS(=O)(=O)C(F)(F)CF)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
P2RX4 Q99571 1/20 0.34
GAA P10253 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
KDR P35968 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 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
SCHEMBL349569 0.90 CYP3A4 (0.45) IDH1CYP3A4LMNASLC6A2SLC6A4
SCHEMBL12375404 0.88 LMNA (0.40) IDH1CYP3A4LMNASMN1; SMN2MAPT
SCHEMBL13521902 0.86 CYP3A4 (0.39) IDH1CYP3A4LMNASMN1; SMN2MAPT
SCHEMBL2280185 0.83 IDH1 (0.36) IDH1LMNASMN1; SMN2MAPTP2RX4
SCHEMBL349226 0.82 CYP3A4 (0.42) IDH1CYP3A4LMNASMN1; SMN2MAPT
SCHEMBL348738 0.82 CYP3A4 (0.42) IDH1CYP3A4LMNASMN1; SMN2MAPT
SCHEMBL349244 0.80 CYP3A4 (0.45) CYP3A4SLC6A3P2RX4PTGDR2
SCHEMBL12375407 0.78 CYP3A4 (0.45) IDH1CYP3A4LMNASLC6A2SLC6A4
SCHEMBL13521950 0.75 CYP3A4 (0.49) CYP3A4LMNASLC6A2SLC6A4SLC6A3
SCHEMBL350159 0.73 CYP3A4 (0.66) CYP3A4GAAPTGDR2L3MBTL1

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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 IDH1 4640/4885CYP3A4 1367/4885LMNA 2161/4885

“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.