SCHEMBL1106997

SCHEMBL1106997

COC(=O)COc1cc(N2CCNCC2)ccc1-c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.50
POLB P06746 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HTR6 P50406 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADRB1 P08588 2/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
HDAC3 O15379 3/20 0.38
HDAC2 Q92769 3/20 0.38
HTR7 P34969 2/20 0.38
MAPKAPK2 P49137 2/20 0.38
KDM4E B2RXH2 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
CHEK1 O14757 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL1107058 0.84 IMPDH2 (0.42) IMPDH2IMPDH1
SCHEMBL1107056 0.83 HTR7 (0.51) PTGDRMEN1KMT2AMAPTALDH1A1
SCHEMBL1107066 0.82 PTGDR (0.51) PTGDRHRH4CHEK1
SCHEMBL7360171 0.82 ADRB1 (0.43) ADRB1HTR7HTR1A
SCHEMBL1107020 0.80 CHRNB2 (0.46) ADRB1HTR7HTR1A
SCHEMBL1107049 0.80 ADRB1 (0.51) PTGDRPOLBMAPTGAAHTR6
SCHEMBL1107063 0.80 PTGDR (0.51) PTGDRHRH4CHEK1
SCHEMBL1107060 0.79 P2RX3 (0.41) PTGDRMEN1KMT2AALDH1A1ADRB1
SCHEMBL1107015 0.79 CHRNB2 (0.45) PTGDRADRB1HTR7HTR1A
SCHEMBL1107007 0.78 PTGDR (0.51) PTGDRIMPDH2IMPDH1HRH4CHEK1

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 1/4885POLB 4020/4885MEN1 4845/4885

“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.