SCHEMBL1106992

SCHEMBL1106992

COC(=O)COc1cc(Cl)ccc1-c1nnco1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
KMT2A Q03164 3/20 0.47
PTGDR Q13258 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.41
F11 P03951 2/20 0.41
KLKB1 P03952 2/20 0.41
LPAR2 Q9HBW0 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 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
SCHEMBL1107053 0.82 PTGDR (0.46) KMT2APTGDRPTGDR2LMNATSHR
SCHEMBL4850237 0.79 NOTUM (0.65) NOTUMKMT2AALDH1A1GAALMNA
SCHEMBL1107044 0.79 IMPDH2 (0.50)
SCHEMBL1107063 0.79 PTGDR (0.51) PTGDR
SCHEMBL1107041 0.77 IMPDH2 (0.46) PTGDRPTGDR2ALDH1A1LMNATSHR
SCHEMBL1107030 0.76 POLB (0.47) KMT2APTGDRPTGDR2ALDH1A1LMNA
SCHEMBL1107064 0.75 PTGDR2 (0.58) KMT2APTGDRPTGDR2ALDH1A1GAA
SCHEMBL10964319 0.73 NOTUM (0.53) NOTUMKMT2AALDH1A1LMNATSHR
SCHEMBL1107013 0.73 PTGDR (0.46) KMT2APTGDRPTGDR2ALDH1A1LMNA
SCHEMBL14058725 0.72 TSHR (0.58) PTGDRPTGDR2ALDH1A1GAALMNA

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 NOTUM 1787/4885KMT2A 1638/4885PTGDR 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.