SCHEMBL1107053

SCHEMBL1107053

COC(=O)COc1cc(Cl)ccc1-c1ncco1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 3/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
LMNA P02545 1/20 0.45
PTGS2 P35354 1/20 0.43
PRNP P04156 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
TRPM4 Q8TD43 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CFTR P13569 1/20 0.38
SCN9A Q15858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 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
SCHEMBL1106992 0.82 NOTUM (0.51) PTGDRPTGDR2LMNAPTGS2KMT2A
SCHEMBL1107030 0.79 POLB (0.47) PTGDRPTGDR2LMNAPTGS2POLB
SCHEMBL1107066 0.78 PTGDR (0.51) PTGDR
SCHEMBL1107044 0.77 IMPDH2 (0.50)
SCHEMBL1116613 0.77 GCGR (0.40) LMNAPOLBKMT2AMAPTTSHR
SCHEMBL1107013 0.77 PTGDR (0.46) PTGDRPTGDR2LMNAPTGS2PRNP
SCHEMBL1107041 0.76 IMPDH2 (0.46) PTGDRPTGDR2LMNAPTGS2IRAK4
SCHEMBL1106995 0.76 KCNMA1 (0.47) PTGDRPTGDR2LMNAPTGS2POLB
SCHEMBL1107064 0.76 PTGDR2 (0.58) PTGDRPTGDR2LMNAPTGS2KMT2A
SCHEMBL1106920 0.73 PTGER1 (0.47) KMT2A

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-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
EP-1939175-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi&Co., Ltd. (JP) 2008-07-02 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 PTGDR 1/4885PTGDR2 2/4885LMNA 3756/4885

“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.