SCHEMBL1107041

SCHEMBL1107041

COC(=O)COc1cc(Cl)ccc1-c1cocn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
PTGDR Q13258 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 2/20 0.42
F11 P03951 3/20 0.41
KLKB1 P03952 3/20 0.41
PTGS2 P35354 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C9 P11712 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL1107007 0.78 PTGDR (0.51) IMPDH2IMPDH1PTGDR
SCHEMBL1106992 0.77 NOTUM (0.51) PTGDRPTGDR2LMNAMAPTF11
SCHEMBL1107044 0.77 IMPDH2 (0.50) IMPDH2IMPDH1
SCHEMBL1107053 0.76 PTGDR (0.46) PTGDRPTGDR2LMNAMAPTPTGS2
SCHEMBL1107064 0.76 PTGDR2 (0.58) PTGDRPTGDR2LMNAMAPTPTGS2
SCHEMBL1107030 0.74 POLB (0.47) IMPDH2IMPDH1PTGDRPTGDR2LMNA
SCHEMBL1107013 0.74 PTGDR (0.46) PTGDRPTGDR2LMNAMAPTPTGS2
SCHEMBL1106995 0.73 KCNMA1 (0.47) PTGDRPTGDR2LMNAMAPTPTGS2
SCHEMBL1107029 0.73 PTGDR (0.59) PTGDRPTGDR2LMNAMAPTPTGS2
SCHEMBL1107026 0.73 LMNA (0.57) PTGDRPTGDR2LMNAMAPTPTGS2

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 8 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-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-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
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US disclosed
EP-2407459-A1 Synthetic intermediate in the production of a sulfonamide derivative having PGD2 receptor antagonistic activity Shionogi & Co., Ltd. (JP) 2012-01-18 EP disclosed
EP-2407453-A1 PGD2 receptor antagonist Shionogi & Co., Ltd. (JP) 2012-01-18 EP 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 IMPDH2 3098/4885IMPDH1 3550/4885PTGDR 1/4885

“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.