SCHEMBL1107030

SCHEMBL1107030

COC(=O)COc1cc(Cl)ccc1-c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PTGDR Q13258 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
NR4A1 P22736 1/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 2/20 0.43
IMPDH2 P12268 1/20 0.43
IMPDH1 P20839 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ANO1 Q5XXA6 1/20 0.43
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL1107044 0.81 IMPDH2 (0.50) IMPDH2IMPDH1
SCHEMBL1107064 0.79 PTGDR2 (0.58) KMT2AMEN1PTGDRPTGDR2LMNA
SCHEMBL1107053 0.79 PTGDR (0.46) POLBKMT2APTGDRPTGDR2LMNA
SCHEMBL1106997 0.78 PTGDR (0.50) POLBKMT2AMEN1PTGDRKDM4E
SCHEMBL15517137 0.78 ALDH1A1 (0.51) POLBKMT2AMEN1KDM4EHPGD
SCHEMBL1106992 0.76 NOTUM (0.51) KMT2APTGDRPTGDR2LMNATSHR
SCHEMBL1107031 0.75 MAPT (0.47) KMT2AMEN1PTGDRPTGDR2LMNA
SCHEMBL1107041 0.74 IMPDH2 (0.46) PTGDRPTGDR2LMNAKDM4EHPGD
SCHEMBL1107029 0.74 PTGDR (0.59) KMT2AMEN1PTGDRPTGDR2LMNA
SCHEMBL1107026 0.74 LMNA (0.57) POLBKMT2AMEN1PTGDRPTGDR2

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 POLB 4020/4885KMT2A 1638/4885MEN1 4845/4885

“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.