SCHEMBL1107064

SCHEMBL1107064

COC(=O)COc1cc(Cl)ccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.58
PTGDR Q13258 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HTT P42858 2/20 0.50
PLA2G1B P04054 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ACLY P53396 1/20 0.47
PTGER1 P34995 1/20 0.46

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
SCHEMBL5004237 0.89 PTGDR2 (0.74) PTGDR2PTGDRALDH1A1MAPTKDM4E
SCHEMBL14327977 0.82 L3MBTL1 (0.64) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1107030 0.79 POLB (0.47) PTGDR2PTGDRALDH1A1MAPTKDM4E
SCHEMBL1107031 0.79 MAPT (0.47) PTGDR2PTGDRALDH1A1MAPTKDM4E
SCHEMBL27533944 0.78 SMN1; SMN2 (0.60) PTGDR2PTGDRALDH1A1MAPTLMNA
SCHEMBL14058725 0.78 TSHR (0.58) PTGDR2PTGDRALDH1A1MAPTKDM4E
SCHEMBL1107029 0.78 PTGDR (0.59) PTGDR2PTGDRMAPTMEN1KMT2A
SCHEMBL1107026 0.78 LMNA (0.57) PTGDR2PTGDRALDH1A1MAPTMEN1
SCHEMBL16199771 0.77 PTGDR2 (0.58) PTGDR2PTGDRALDH1A1MAPTKDM4E
SCHEMBL1107013 0.76 PTGDR (0.46) PTGDR2PTGDRALDH1A1MAPTKDM4E

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 8 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

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 PTGDR2 2/4885PTGDR 1/4885ALDH1A1 1440/4885

“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.