SCHEMBL1106995

SCHEMBL1106995

COC(=O)COc1cc(Cl)ccc1-c1nccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.46
PTGDR Q13258 2/20 0.46
LMNA P02545 1/20 0.45
CTSA P10619 1/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
PTGS2 P35354 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
HPGD P15428 2/20 0.40
TRPM4 Q8TD43 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1107031 0.79 MAPT (0.47) MEN1KMT2ACYP1A2PTGDR2PTGDR
SCHEMBL1107067 0.78 PTGDR (0.51) MEN1KMT2ACYP1A2PTGDR2PTGDR
SCHEMBL1107013 0.77 PTGDR (0.46) KMT2ACYP1A2PTGDR2PTGDRLMNA
SCHEMBL21276512 0.76 PTGDR2 (0.62) PTGDR2PTGDRMAPT
SCHEMBL1107053 0.76 PTGDR (0.46) KMT2ACYP1A2PTGDR2PTGDRLMNA
SCHEMBL1107064 0.76 PTGDR2 (0.58) MEN1KMT2APTGDR2PTGDRLMNA
SCHEMBL1107041 0.73 IMPDH2 (0.46) CYP1A2PTGDR2PTGDRLMNAMAPT
SCHEMBL1107029 0.73 PTGDR (0.59) MEN1KMT2ACYP1A2PTGDR2PTGDR
SCHEMBL1107026 0.73 LMNA (0.57) MEN1KMT2ACYP1A2PTGDR2PTGDR
SCHEMBL1106992 0.72 NOTUM (0.51) KMT2ACYP1A2PTGDR2PTGDRLMNA

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-2407453-A1 PGD2 receptor antagonist Shionogi & Co., Ltd. (JP) 2012-01-18 EP 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-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 KCNMA1 333/4885MEN1 4845/4885KMT2A 1638/4885

“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.