SCHEMBL2275741

SCHEMBL2275741

Cc1nnc([S+]([O-])Cc2cc(Br)ccc2Oc2cccc(CC(=O)O)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.37
PTGDR2 Q9Y5Y4 11/20 0.37
PTGER1 P34995 2/20 0.35
THRA P10827 3/20 0.34
THRB P10828 3/20 0.34
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL13521898 0.88 PTGDR2 (0.36) PTGDR2MAPTPOLB
SCHEMBL2280465 0.83 PPARD (0.40) PPARDPTGDR2PTGER1THRATHRB
SCHEMBL2281950 0.82 PTGDR2 (0.43) PPARDPTGDR2THRATHRB
SCHEMBL2282155 0.82 ALDH1A1 (0.48) PPARDMAPTPOLB
Benzene SCHEMBL2281937 0.82 PPARD (0.44) PPARDPTGDR2THRATHRB
SCHEMBL2279506 0.81 PPARD (0.41) PPARDPTGDR2PTGER1THRATHRB
SCHEMBL2280428 0.79 PTGDR2 (0.41) PPARDPTGDR2PTGER1THRATHRB
SCHEMBL2281925 0.79 PTGDR2 (0.44) PPARDPTGDR2THRATHRB
SCHEMBL2282375 0.79 PPARD (0.43) PPARDPTGDR2THRATHRB
SCHEMBL2279344 0.77 PTGDR2 (0.43) PPARDPTGDR2THRATHRB

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 5 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
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 PPARD 27/4885PTGDR2 2/4885PTGER1 4/4885

“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.