SCHEMBL2280185

SCHEMBL2280185

CCOC(=O)Cc1cc(Oc2ccc(NC(=O)C(C)(C)C)cc2C(F)(F)S(=O)(=O)CCF)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX4 Q99571 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
AR P10275 1/20 0.33
GAA P10253 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
S1PR1 P21453 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KDR P35968 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 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
SCHEMBL349570 0.90 PTGDR2 (0.40) IDH1LMNAP2RX4PTGDR2AR
SCHEMBL2280180 0.83 IDH1 (0.36) IDH1LMNAMAPTSMN1; SMN2P2RX4
SCHEMBL13521902 0.81 CYP3A4 (0.39) IDH1LMNAMAPTSMN1; SMN2P2RX4
SCHEMBL12375404 0.81 LMNA (0.40) IDH1LMNAMAPTSMN1; SMN2P2RX4
SCHEMBL349245 0.80 PTGDR2 (0.45) P2RX4PTGDR2
SCHEMBL348738 0.80 CYP3A4 (0.42) IDH1LMNAMAPTSMN1; SMN2P2RX4
SCHEMBL349226 0.78 CYP3A4 (0.42) IDH1LMNAMAPTSMN1; SMN2P2RX4
SCHEMBL3247961 0.75 PTGDR2 (0.46) P2RX4PTGDR2S1PR1
SCHEMBL350160 0.73 CYP3A4 (0.60) PTGDR2GAAALDH1A1
SCHEMBL349569 0.73 CYP3A4 (0.45) IDH1LMNAP2RX4PTGDR2GAA

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 4640/4885LMNA 2161/4885MAPT 4843/4885

“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.