SCHEMBL350027

SCHEMBL350027

COC(=O)Cc1ccc(C)c(Oc2ccc(N)cc2CSCC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
CYP3A4 P08684 1/20 0.36
PDK2 Q15119 1/20 0.34
TLR7 Q9NYK1 9/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSD P07339 2/20 0.33
CETP P11597 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31

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
SCHEMBL347760 0.90 ALDH1A1 (0.40) ALDH1A1GAAGFERCYP3A4PDK2
SCHEMBL348216 0.89 ALDH1A1 (0.39) ALDH1A1GAAGFERCYP3A4PDK2
SCHEMBL349488 0.89 GAA (0.39) ALDH1A1GAAGFERCYP3A4PDK2
SCHEMBL12409581 0.87 CYP3A4 (0.35) ALDH1A1GAAGFERCYP3A4PDK2
SCHEMBL349399 0.85 ALDH1A1 (0.42) ALDH1A1CYP3A4SMN1; SMN2LMNA
SCHEMBL349505 0.85 CYP3A4 (0.41) ALDH1A1GAACYP3A4CTSDLMNA
SCHEMBL348007 0.84 CYP3A4 (0.55) ALDH1A1GAAGFERCYP3A4NPC1
SCHEMBL2282210 0.82 MAPK1 (0.36) ALDH1A1GAACYP3A4SMN1; SMN2MAPK1
SCHEMBL348080 0.81 LMNA (0.35) ALDH1A1GAAGFERLMNA
SCHEMBL12407965 0.79 GAA (0.41) ALDH1A1GAAGFERCYP3A4PDK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247602-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-21 US disclosed
US-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2012-01-19 US disclosed
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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-06-16 US disclosed
EP-2307362-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-04-13 EP disclosed
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
WO-2010003120-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 (4 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-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 2185/4885GAA 3993/4885GFER 1219/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 2185/4885GAA 3993/4885GFER 1219/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 ALDH1A1 2185/4885GAA 3993/4885GFER 1219/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 ALDH1A1 2155/4885GAA 3473/4885GFER 1360/4885

“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.