SCHEMBL1107065

SCHEMBL1107065

CNC(=O)c1ccc(N2CCNCC2)cc1OCC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 4/20 0.49
ABCB1 P08183 1/20 0.41
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
ADRB1 P08588 2/20 0.41
PTK2 Q05397 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
MAPK9 P45984 3/20 0.40
MAPK10 P53779 3/20 0.40
MAPK8 P45983 1/20 0.40
LRRK2 Q5S007 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL16788139 0.88 PTGDR (0.47) PTGDRABCB1ADRB1HTR3EHTR3B
SCHEMBL1107022 0.88 KMT2A (0.50) ABCB1BCL9CTNNB1ADRB1HTR3E
SCHEMBL7360171 0.86 ADRB1 (0.43) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1107049 0.83 ADRB1 (0.51) PTGDRADRB1HTR3EHTR3BHTR3A
SCHEMBL1107020 0.83 CHRNB2 (0.46) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1107015 0.82 CHRNB2 (0.45) PTGDRADRB1HTR3EHTR3BHTR3A
SCHEMBL1107055 0.81 HTR6 (0.43) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1115184 0.80 PTGDR (0.47) PTGDRBCL9CTNNB1ADRB1MEN1
SCHEMBL1107056 0.80 HTR7 (0.51) PTGDRADRB1HTR1ALRRK2MEN1
SCHEMBL1106993 0.80 HTR6 (0.49) PTGDRPTK2ALK

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 7 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-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 1/4885ABCB1 1053/4885BCL9 2123/4885

“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.