SCHEMBL2280428

SCHEMBL2280428

Cc1nnc(S(=O)(=O)Cc2cc(Br)ccc2Oc2cccc(CC(=O)O)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.41
PPARD Q03181 1/20 0.38
HSD11B1 P28845 1/20 0.37
PTGER1 P34995 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SLC26A3 P40879 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL13521850 0.89 PTGDR2 (0.41) PTGDR2HSD11B1MEN1KMT2ARXFP1
SCHEMBL2282723 0.83 PTGDR2 (0.41) PTGDR2PPARDTHRATHRB
SCHEMBL2278086 0.81 PTGDR2 (0.54) PTGDR2PPARDTHRATHRB
Benzene SCHEMBL2280559 0.81 PTGDR2 (0.48) PTGDR2PPARDTHRATHRB
SCHEMBL2282155 0.81 ALDH1A1 (0.48) PPARDHSD11B1MEN1KMT2A
SCHEMBL2275741 0.79 PPARD (0.37) PTGDR2PPARDPTGER1THRATHRB
SCHEMBL2285921 0.79 PTGDR2 (0.45) PTGDR2PPARDTHRATHRB
SCHEMBL2280552 0.78 PTGDR2 (0.50) PTGDR2PPARDTHRATHRB
SCHEMBL12409417 0.78 PTGDR2 (0.43) PTGDR2PPARDTHRATHRB
SCHEMBL2282112 0.76 PTGDR2 (0.43) PTGDR2PPARDTHRATHRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US claimed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO claimed
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
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 (1 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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PPARD 27/4885HSD11B1 599/4885

“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.