SCHEMBL349485

SCHEMBL349485

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(Br)cc2CSC(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
DRD2 P14416 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL349119 0.88 CYP3A4 (0.55) CYP3A4DRD2ABL1RIN1ALDH1A1
SCHEMBL13760731 0.87 ABL1 (0.49) CYP3A4DRD2ABL1RIN1SMN1; SMN2
SCHEMBL347170 0.87 CYP3A4 (0.57) CYP3A4DRD2ABL1RIN1ALDH1A1
SCHEMBL13521925 0.86 CYP3A4 (0.54) CYP3A4DRD2ABL1RIN1SMN1; SMN2
SCHEMBL14733246 0.86 CYP3A4 (0.54) CYP3A4DRD2ABL1RIN1SMN1; SMN2
SCHEMBL2278477 0.86 CYP3A4 (0.54) CYP3A4DRD2PPARA
SCHEMBL13521970 0.86 CYP3A4 (0.54) CYP3A4DRD2ABL1RIN1SMN1; SMN2
SCHEMBL350678 0.86 ABL1 (0.45) CYP3A4DRD2ABL1RIN1SMN1; SMN2
SCHEMBL347672 0.85 CYP3A4 (0.53) CYP3A4SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL347144 0.85 ABL1 (0.47) DRD2ABL1RIN1SMN1; SMN2ALDH1A1

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-2010003120-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 1441/4885DRD2 87/4885ABL1 4696/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885DRD2 87/4885ABL1 4696/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885DRD2 87/4885ABL1 4696/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885DRD2 84/4885ABL1 4615/4885

“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.