SCHEMBL349664

SCHEMBL349664

COC(=O)Cc1cc(Cl)cc(Oc2ccc(N)cc2CSC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
GFER P55789 1/20 0.36
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
PTGDR2 Q9Y5Y4 9/20 0.35
PTGDR Q13258 1/20 0.34
MAPT P10636 2/20 0.33
HSP90AB1 P08238 1/20 0.33
PNLIP P16233 1/20 0.32
LMNA P02545 1/20 0.32
P2RX4 Q99571 1/20 0.32
EPAS1 Q99814 1/20 0.32

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
SCHEMBL2278844 0.86 ALDH1A1 (0.36) ALDH1A1GAAGFERHTR2ASLC6A4
SCHEMBL348080 0.85 LMNA (0.35) ALDH1A1GAAGFERHTR2ASLC6A4
SCHEMBL350545 0.85 TBXA2R (0.42) CYP3A4ALDH1A1GAAMAPTLMNA
SCHEMBL349029 0.85 CYP3A4 (0.59) CYP3A4PTGDR2MAPTP2RX4
SCHEMBL14715933 0.81 CYP3A4 (0.61) CYP3A4ALDH1A1GAAGFERMAPT
SCHEMBL10129303 0.76 CYP3A4 (0.61) CYP3A4PTGDR2PTGDRP2RX4
SCHEMBL348018 0.76 CYP3A4 (0.68) CYP3A4PTGDR2PTGDRP2RX4
SCHEMBL350021 0.74 CYP3A4 (0.47) CYP3A4MAPTLMNAP2RX4
SCHEMBL349776 0.73 CYP3A4 (0.44) CYP3A4ALDH1A1HTR2ASLC6A4MAPT
SCHEMBL2278130 0.73 MEN1 (0.41) ALDH1A1GAAMAPTLMNA

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 9 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
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

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 1441/4885ALDH1A1 2185/4885GAA 3993/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885ALDH1A1 2185/4885GAA 3993/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885ALDH1A1 2185/4885GAA 3993/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885ALDH1A1 2155/4885GAA 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.