SCHEMBL348774

SCHEMBL348774

COc1ccc(CC(=O)O)cc1Oc1ccc(NC(=O)c2ccccc2F)cc1CSC(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.72
PTGDR2 Q9Y5Y4 6/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR1H4 Q96RI1 3/20 0.48
KMT2A Q03164 7/20 0.45
MEN1 O00255 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42

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
SCHEMBL349150 0.90 CYP3A4 (0.58) CYP3A4PTGDR2NPC1RAB9AHPGD
SCHEMBL349781 0.89 CYP3A4 (0.78) CYP3A4PTGDR2NPC1RAB9AHPGD
SCHEMBL349520 0.86 CYP3A4 (0.74) CYP3A4PTGDR2NPC1RAB9AMAPT
SCHEMBL348253 0.86 CYP3A4 (0.74) CYP3A4PTGDR2NPC1RAB9AHPGD
SCHEMBL349120 0.86 CYP3A4 (0.71) CYP3A4PTGDR2NPC1RAB9ASMN1; SMN2
SCHEMBL349017 0.84 CYP3A4 (0.71) CYP3A4PTGDR2NR1H4KDM4E
Am-461 SCHEMBL349848 0.84 CYP3A4 (1.00) CYP3A4PTGDR2SMN1; SMN2NR1H4TDP1
Am-461 SCHEMBL29567409 0.84 CYP3A4 (1.00) CYP3A4PTGDR2SMN1; SMN2NR1H4TDP1
Am-461 SCHEMBL14715969 0.83 CYP3A4 (0.98) CYP3A4PTGDR2SMN1; SMN2NR1H4TDP1
SCHEMBL350554 0.83 CYP3A4 (0.81) CYP3A4PTGDR2SMN1; SMN2NR1H4TDP1

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 19 patents. 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
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
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 US claimed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO claimed
US-8247602-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-21 US disclosed
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-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-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
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-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885PTGDR2 2/4885NPC1 3229/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885PTGDR2 2/4885NPC1 3229/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885PTGDR2 2/4885NPC1 3229/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885PTGDR2 2/4885NPC1 2803/4885

“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.