SCHEMBL348776

SCHEMBL348776

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KLK7 P49862 1/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
GLA P06280 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL348158 0.91 PPARG (0.42) CYP3A4MAPTALDH1A1ABL1RIN1
SCHEMBL349491 0.90 PTGDR2 (0.42) CYP3A4ALDH1A1POLBLMNA
SCHEMBL2276265 0.88 ACHE (0.42) CYP3A4ALDH1A1ABL1RIN1POLB
SCHEMBL349203 0.86 CYP3A4 (0.40) CYP3A4MAPTGAAALDH1A1ABL1
SCHEMBL350678 0.86 ABL1 (0.45) CYP3A4MAPTALDH1A1ABL1RIN1
SCHEMBL349209 0.85 PTGDR2 (0.48) GAAALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL349983 0.84 PTGDR2 (0.48) MAPTGAARAB9ALMNANPC1
SCHEMBL350502 0.83 PTGDR2 (0.46) CYP3A4MAPTGAAALDH1A1POLB
SCHEMBL350012 0.83 HTT (0.44) CYP3A4MAPTALDH1A1POLBLMNA
SCHEMBL350490 0.83 CYP3A4 (0.64) CYP3A4MAPTGAAABL1RIN1

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 11 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

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 4847/4885GAA 3993/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885MAPT 4847/4885GAA 3993/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885MAPT 4847/4885GAA 3993/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885MAPT 4843/4885GAA 3473/4885

“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.