SCHEMBL1106974

SCHEMBL1106974

O=C(CBr)c1ccc(Br)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.51
MAOB P27338 3/20 0.49
LRRK2 Q5S007 9/20 0.48
PTGER1 P34995 3/20 0.48
FOLH1 Q04609 1/20 0.48
MAOA P21397 2/20 0.47
SLC6A4 P31645 1/20 0.47
CYP1A2 P05177 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL31605214 1.00 PTGES (0.51) PTGESMAOBLRRK2PTGER1FOLH1
SCHEMBL28317383 0.87 NPC1 (0.53) PTGESMAOBLRRK2PTGER1FOLH1
SCHEMBL4473413 0.87 MAOB (0.61) MAOBFOLH1MAOACYP1A2LMNA
SCHEMBL16898127 0.87 FOLH1 (0.58) PTGESLRRK2PTGER1FOLH1CYP1A2
SCHEMBL21505214 0.86 PTGES (0.49) PTGESMAOBLRRK2PTGER1FOLH1
SCHEMBL4481452 0.84 FFAR4 (0.51) MAOBLRRK2PTGER1FOLH1MAOA
SCHEMBL21436822 0.84 MCL1 (0.55) MAOBPTGER1FOLH1
SCHEMBL11355488 0.84 PTGER1 (0.54) MAOBLRRK2PTGER1FOLH1
SCHEMBL1106947 0.84 MAOB (0.61) PTGESMAOBLRRK2MAOA
SCHEMBL30361330 0.84 MAOB (0.61) PTGESMAOBLRRK2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US 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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 PTGES 44/4885MAOB 3407/4885LRRK2 3245/4885

“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.