SCHEMBL1107013

SCHEMBL1107013

COC(=O)COc1cc(Cl)ccc1-c1ncc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
LMNA P02545 1/20 0.46
LPAR2 Q9HBW0 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PTGS2 P35354 1/20 0.41
PRNP P04156 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
MAPT P10636 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
VCP P55072 3/20 0.40

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
SCHEMBL11202383 0.86 ALDH1A1 (0.48) LMNALPAR2ALDH1A1KDM4EPTGS2
SCHEMBL1107062 0.78 CCR1 (0.41) ALDH1A1KDM4E
SCHEMBL1107053 0.77 PTGDR (0.46) PTGDRPTGDR2LMNALPAR2PTGS2
SCHEMBL1106995 0.77 KCNMA1 (0.47) PTGDRPTGDR2LMNALPAR2ALDH1A1
SCHEMBL1107064 0.76 PTGDR2 (0.58) PTGDRPTGDR2LMNAALDH1A1KDM4E
SCHEMBL1107041 0.74 IMPDH2 (0.46) PTGDRPTGDR2LMNALPAR2ALDH1A1
SCHEMBL1107026 0.74 LMNA (0.57) PTGDRPTGDR2LMNAALDH1A1PTGS2
SCHEMBL1107029 0.74 PTGDR (0.59) PTGDRPTGDR2LMNAPTGS2KMT2A
SCHEMBL23466773 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL1106992 0.73 NOTUM (0.51) PTGDRPTGDR2LMNALPAR2ALDH1A1

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 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.