SCHEMBL4374901

SCHEMBL4374901

COC(=O)CCCCCCN1C(=O)CCC[C@@H]1C=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 18/20 0.46
PTGER3 P43115 8/20 0.42
PTGER2 P43116 6/20 0.42
KAT2B Q92831 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4374904 1.00 PTGER4 (0.46) PTGER4PTGER3PTGER2KAT2BKCNH2
SCHEMBL5733480 0.92 PTGER4 (0.48) PTGER4PTGER3PTGER2KCNH2
SCHEMBL5733485 0.92 PTGER4 (0.48) PTGER4PTGER3PTGER2KCNH2
SCHEMBL12288856 0.86 ALDH1A1 (0.47) PTGER4PTGER3PTGER2KCNH2
SCHEMBL756673 0.86 PTGER4 (0.51) PTGER4PTGER3PTGER2
SCHEMBL756672 0.86 PTGER4 (0.51) PTGER4PTGER3PTGER2
SCHEMBL4381066 0.85 PTGER4 (0.44) PTGER4PTGER3PTGER2
SCHEMBL4381070 0.85 PTGER4 (0.44) PTGER4PTGER3PTGER2
SCHEMBL4385981 0.83 PTGER4 (0.49) PTGER4PTGER3PTGER2KCNH2
SCHEMBL4376516 0.83 PTGER4 (0.49) PTGER4PTGER3PTGER2KCNH2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631355-B1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN INC (US) 2014-08-13 EP disclosed
EP-1817033-B1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN INC (US) 2009-11-18 EP disclosed
US-7326716-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2008-02-05 US disclosed
EP-1817033-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE Allergan, Inc. (US) 2007-08-15 EP disclosed
US-7179820-B2 Piperidinyl prostaglandin E analogs ALLERGAN, INC. (US) 2007-02-20 US disclosed
WO-2006058080-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN, INC. (US) 2006-06-01 WO disclosed
EP-1631355-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS Allergan, Inc. (US) 2006-03-08 EP disclosed
US-20050171062-A1 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2005-08-04 US disclosed
WO-2004108215-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. (US) 2004-12-16 WO disclosed
US-20040248854-A1 Piperidinyl prostaglandin E analogs ALLERGAN, INC. 2004-12-09 US 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 (2 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-20050171062-A1 Treatment of inflammatory bowel disease SLC10A2, GUCY1B1, PTGER1 PTGER4 18/4885PTGER3 8/4885PTGER2 33/4885
US-20040248854-A1 Piperidinyl prostaglandin E analogs PTGIR, PTGER1, PTGS1 PTGER4 14/4885PTGER3 5/4885PTGER2 10/4885

“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.