SCHEMBL349151

SCHEMBL349151

COc1ccc(NC(=O)c2ccc(Oc3cc(CC(=O)O)ccc3OC)c(CSC(C)(C)C)c2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
NR1H4 Q96RI1 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
POLB P06746 2/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.43
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
NPC1 O15118 2/20 0.40
PKM P14618 1/20 0.40
RAF1 P04049 1/20 0.40

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
SCHEMBL348741 0.91 CYP3A4 (0.53) CYP3A4SMN1; SMN2MEN1KMT2ACASP3
SCHEMBL348253 0.85 CYP3A4 (0.74) CYP3A4NR1H4SMN1; SMN2MEN1KMT2A
SCHEMBL349781 0.84 CYP3A4 (0.78) CYP3A4NR1H4SMN1; SMN2MEN1KMT2A
SCHEMBL349851 0.83 CYP3A4 (0.74) CYP3A4NR1H4MEN1KMT2APTGDR2
SCHEMBL349255 0.83 CYP3A4 (0.65) CYP3A4NR1H4SMN1; SMN2PTGDR2
SCHEMBL348288 0.82 CYP3A4 (0.67) CYP3A4NR1H4PTGDR2TSHR
SCHEMBL12375444 0.82 CYP3A4 (0.66) CYP3A4PTGDR2
SCHEMBL350057 0.81 CYP3A4 (0.74) CYP3A4NR1H4PTGDR2
SCHEMBL349520 0.81 CYP3A4 (0.74) CYP3A4NR1H4SMN1; SMN2PTGDR2KDM4E
SCHEMBL348011 0.81 CYP3A4 (0.63) CYP3A4NR1H4PTGDR2

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 20 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
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
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-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 1441/4885NR1H4 302/4885SMN1; SMN2 4300/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885NR1H4 302/4885SMN1; SMN2 4300/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885NR1H4 302/4885SMN1; SMN2 4300/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885NR1H4 262/4885SMN1; SMN2 4612/4885

“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.