SCHEMBL1107007

SCHEMBL1107007

COC(=O)COc1cc(N2CCNCC2)ccc1-c1cocn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.51
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
CHEK1 O14757 2/20 0.38
ALK Q9UM73 8/20 0.38
TLR9 Q9NR96 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CDK5 Q00535 1/20 0.36

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
SCHEMBL7360171 0.81 ADRB1 (0.43) ALKCHRNB2CHRNA4
SCHEMBL1107058 0.81 IMPDH2 (0.42) IMPDH2IMPDH1
SCHEMBL1107063 0.81 PTGDR (0.51) PTGDRCHEK1ALKTLR9TLR7
SCHEMBL1107056 0.80 HTR7 (0.51) PTGDR
SCHEMBL1107066 0.80 PTGDR (0.51) PTGDRCHEK1ALKHRH4
SCHEMBL1107062 0.79 CCR1 (0.41) CHEK1ALKCHRNB2CHRNA4HRH4
SCHEMBL1107020 0.79 CHRNB2 (0.46) ALKCHRNB2CHRNA4
SCHEMBL1107049 0.79 ADRB1 (0.51) PTGDRALK
SCHEMBL1106997 0.78 PTGDR (0.50) PTGDRIMPDH2IMPDH1CHEK1HRH4
SCHEMBL1107041 0.78 IMPDH2 (0.46) PTGDRIMPDH2IMPDH1

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-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
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 1/4885IMPDH2 3098/4885IMPDH1 3550/4885

“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.