Sugi Predict

Sugi Predict / Compounds / SCHEMBL349853

SCHEMBL349853

SCHEMBL349853

COc1ccc(CC(=O)O)cc1Oc1ccc(NC(=O)C(C)(C)C)cc1C[S+]([O-])C(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.70
▸ PTGDR2 Q9Y5Y4 6/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 3/20 0.40
▸ NR1H4 Q96RI1 3/20 0.40
▸ FABP4 P15090 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA5A P35218 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL350295 0.91 CYP3A4 (0.58) CYP3A4PTGDR2L3MBTL1GAANR1H4
SCHEMBL347047 0.89 CYP3A4 (0.68) CYP3A4PTGDR2L3MBTL1GAANR1H4
SCHEMBL13521854 0.83 CYP3A4 (0.74) CYP3A4PTGDR2L3MBTL1GAANR1H4
Am-461 SCHEMBL349848 0.83 CYP3A4 (1.00) CYP3A4PTGDR2L3MBTL1GAANR1H4
Am-461 SCHEMBL29567409 0.83 CYP3A4 (1.00) CYP3A4PTGDR2L3MBTL1GAANR1H4
Am-461 SCHEMBL14715969 0.82 CYP3A4 (0.98) CYP3A4PTGDR2L3MBTL1GAANR1H4
Am-461 SCHEMBL14715972 0.82 CYP3A4 (0.98) CYP3A4PTGDR2L3MBTL1GAANR1H4
SCHEMBL348737 0.82 CYP3A4 (0.72) CYP3A4PTGDR2L3MBTL1GAANR1H4
SCHEMBL2280449 0.82 PTGDR2 (0.48) CYP3A4PTGDR2CYP2C9
SCHEMBL2286016 0.81 CYP3A4 (0.70) CYP3A4PTGDR2L3MBTL1NR1H4FABP4

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071807-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-12-06 — — US claimed
JP-2011526930-A — — 2011-10-20 — — JP claimed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 — — US claimed
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-06-16 — — US claimed
EP-2307362-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-04-13 — — EP claimed
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 — — US claimed
WO-2010003120-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 — — WO claimed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 — — WO claimed
US-9688624-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-06-27 — — US disclosed
US-9688624-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-06-27 — — US disclosed
US-9688624-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-06-27 — — US disclosed
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-28 — — US disclosed
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-28 — — US disclosed
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-28 — — US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 — — US disclosed
WO-2011085033-A2 DP2 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2011-07-14 — — WO 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-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885PTGDR2 2/4885L3MBTL1 4068/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885PTGDR2 2/4885L3MBTL1 4068/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885PTGDR2 2/4885L3MBTL1 4395/4885
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PTGER2, PTGDR2, PTGES2 CYP3A4 2497/4885PTGDR2 2/4885L3MBTL1 2926/4885

“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.