SCHEMBL349829

SCHEMBL349829

CC(C)(C)SCc1cc(NC(=O)C(C)(C)C)ccc1Oc1cc(CC(=O)O)ccc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.82
GAA P10253 4/20 0.44
TSHR P16473 2/20 0.44
NFKB1 P19838 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PTGDR2 Q9Y5Y4 7/20 0.38
NR1H4 Q96RI1 3/20 0.36
HPSE Q9Y251 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RGS12 O14924 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
APEX1 P27695 1/20 0.35
THPO P40225 1/20 0.35
BLM P54132 1/20 0.35
GNAI1 P63096 1/20 0.35
PMP22 Q01453 1/20 0.35

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
Am-461 SCHEMBL29567409 0.90 CYP3A4 (1.00) CYP3A4GAATSHRNFKB1TDP1
Am-461 SCHEMBL349848 0.90 CYP3A4 (1.00) CYP3A4GAATSHRNFKB1TDP1
Am-461 SCHEMBL14715972 0.89 CYP3A4 (0.98) CYP3A4GAATSHRNFKB1TDP1
Am-461 SCHEMBL14715969 0.89 CYP3A4 (0.98) CYP3A4GAATSHRNFKB1TDP1
SCHEMBL350178 0.89 CYP3A4 (0.81) CYP3A4ALDH1A1PTGDR2MAPTKDM4E
SCHEMBL350295 0.83 CYP3A4 (0.58) CYP3A4GAATSHRNFKB1TDP1
SCHEMBL14733229 0.82 CYP3A4 (0.85) CYP3A4PTGDR2LMNAKDM4EPOLB
SCHEMBL2361747 0.82 CYP3A4 (0.85) CYP3A4ALDH1A1PTGDR2LMNAKDM4E
Am-461 SCHEMBL14715970 0.82 CYP3A4 (0.84) CYP3A4PTGDR2LMNAKDM4EPOLB
SCHEMBL348018 0.81 CYP3A4 (0.68) CYP3A4PTGDR2

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 30 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
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
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
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-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-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885GAA 3993/4885TSHR 426/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885GAA 3993/4885TSHR 426/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885GAA 3473/4885TSHR 555/4885
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PTGER2, PTGDR2, PTGES2 CYP3A4 2497/4885GAA 3084/4885TSHR 2624/4885

“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.