SCHEMBL350176

SCHEMBL350176

CCOC(=O)Cc1ccc(Cl)c(Oc2ccc(NC(=O)C(C)(C)C)cc2CSC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
MAPT P10636 7/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPY2R P49146 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
GNRHR P30968 1/20 0.33
PTGES O14684 1/20 0.33
F2R P25116 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
SCHEMBL350490 0.90 CYP3A4 (0.64) CYP3A4MAPTLMNASMN1; SMN2KMT2A
SCHEMBL349715 0.90 CYP3A4 (0.65) CYP3A4MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL349047 0.89 CYP3A4 (0.64) CYP3A4MAPTNPY2RPTGDR2PTGES
SCHEMBL13521960 0.87 CYP3A4 (0.49) CYP3A4MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL349566 0.86 CYP3A4 (0.50) CYP3A4MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL2278829 0.83 CYP3A4 (0.52) CYP3A4MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL349082 0.83 MAPK1 (0.35) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL349226 0.81 CYP3A4 (0.42) CYP3A4MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL350229 0.80 LMNA (0.41) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL349965 0.80 CYP3A4 (0.80) CYP3A4MAPTLMNASMN1; 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 12 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
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 1441/4885MAPT 4847/4885LMNA 2277/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885MAPT 4847/4885LMNA 2277/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885MAPT 4847/4885LMNA 2277/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885MAPT 4843/4885LMNA 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.