SCHEMBL348007

SCHEMBL348007

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
EPHX2 P34913 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 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
SCHEMBL349285 0.92 CYP3A4 (0.63) CYP3A4ALDH1A1MEN1KMT2ALMNA
SCHEMBL349133 0.91 CYP3A4 (0.55) CYP3A4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL349147 0.90 CYP3A4 (0.56) CYP3A4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL347052 0.89 CYP3A4 (0.53) CYP3A4SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL347667 0.87 CYP3A4 (0.62) CYP3A4SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL349844 0.85 CYP3A4 (0.77) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL349566 0.84 CYP3A4 (0.50) CYP3A4SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL350027 0.84 ALDH1A1 (0.40) CYP3A4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16510019 0.83 CYP3A4 (0.56) CYP3A4SMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL347312 0.83 CYP3A4 (0.63) CYP3A4CYP1A2CYP2C9CYP2C19LMNA

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
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO 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 (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 CYP3A4 1441/4885SMN1; SMN2 4300/4885NPC1 3229/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885SMN1; SMN2 4300/4885NPC1 3229/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885SMN1; SMN2 4300/4885NPC1 3229/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885SMN1; SMN2 4612/4885NPC1 2803/4885

“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.