SCHEMBL347183

SCHEMBL347183

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
DRD2 P14416 1/20 0.36
POLB P06746 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PTGDR Q13258 1/20 0.36
MAPK1 P28482 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
SCHEMBL349240 0.93 CYP3A4 (0.52) CYP3A4MEN1KMT2AALDH1A1LMNA
SCHEMBL12375441 0.91 CYP3A4 (0.54) CYP3A4MEN1KMT2AALDH1A1LMNA
SCHEMBL348011 0.90 CYP3A4 (0.63) CYP3A4PTGDR2NR1H4PTGDR
SCHEMBL13523310 0.89 CYP3A4 (0.55) CYP3A4MEN1KMT2ALMNAMAPT
SCHEMBL13521970 0.89 CYP3A4 (0.54) CYP3A4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3266122 0.88 CYP3A4 (0.51) CYP3A4MEN1KMT2AALDH1A1LMNA
SCHEMBL348562 0.88 CYP3A4 (0.54) CYP3A4MEN1KMT2AALDH1A1LMNA
SCHEMBL348836 0.86 CYP3A4 (0.51) CYP3A4MEN1KMT2AALDH1A1MAPT
SCHEMBL13521928 0.86 CYP3A4 (0.55) CYP3A4MEN1KMT2AALDH1A1LMNA
SCHEMBL347170 0.86 CYP3A4 (0.57) CYP3A4ALDH1A1LMNAMAPTPTGDR2

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 9 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-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 CYP3A4 1441/4885MEN1 4751/4885KMT2A 4646/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885MEN1 4751/4885KMT2A 4646/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885MEN1 4751/4885KMT2A 4646/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885MEN1 4760/4885KMT2A 4618/4885

“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.