SCHEMBL1107029

SCHEMBL1107029

COC(=O)COc1cc(Cl)ccc1OC

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.59
PTGDR2 Q9Y5Y4 1/20 0.59
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
PTGS2 P35354 1/20 0.50
HMGCR P04035 1/20 0.50
HDAC8 Q9BY41 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL6813621 0.86 ALDH1A1 (0.58) LMNAMEN1KMT2AMAPTTSHR
2,4-Dichlorophenoxyacetic Acid, Methyl Ester SCHEMBL5004223 0.85 MAPT (0.70) PTGDRPTGDR2LMNAMEN1KMT2A
SCHEMBL2117921 0.85 LMNA (0.59) PTGDRPTGDR2LMNAMEN1KMT2A
SCHEMBL1107026 0.84 LMNA (0.57) PTGDRPTGDR2LMNAMEN1KMT2A
SCHEMBL4887579 0.84 CYP1A2 (0.69) PTGDRPTGDR2LMNAMEN1KMT2A
SCHEMBL4573655 0.83 PTGDR (0.55) PTGDRPTGDR2LMNAMAPTTSHR
SCHEMBL5007025 0.83 GAA (0.62) PTGDRPTGDR2LMNAMEN1KMT2A
SCHEMBL4627361 0.83 PTGDR (0.58) PTGDRPTGDR2LMNAMAPTTSHR
SCHEMBL18715501 0.82 GAA (0.56) LMNAMAPTTDP1SMN1; SMN2HTT
SCHEMBL25337618 0.81 PTGDR (0.56) PTGDRPTGDR2LMNAMEN1KMT2A

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 6 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-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-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.