SCHEMBL4933370

SCHEMBL4933370

Cc1cc(Cl)ccc1-c1cccc([C@H](O)CC[C@H]2CCCC(=O)N2CCSCCCC(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 15/20 1.00
PTGER2 P43116 4/20 0.65
PTGER3 P43115 3/20 0.64
PTGER1 P34995 1/20 0.64

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
SCHEMBL5215300 0.96 PTGER4 (0.93) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5215619 0.96 PTGER4 (0.93) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5732740 0.87 PTGER4 (0.84) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5732737 0.87 PTGER4 (0.84) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5732735 0.87 PTGER4 (0.84) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5216126 0.86 PTGER4 (0.76) PTGER4PTGER2PTGER3PTGER1
SCHEMBL5216140 0.86 PTGER4 (0.76) PTGER4PTGER2PTGER3PTGER1
SCHEMBL4940941 0.83 PTGER4 (1.00) PTGER4PTGER2PTGER3PTGER1
SCHEMBL4940936 0.83 PTGER4 (1.00) PTGER4PTGER2PTGER3PTGER1
SCHEMBL14261765 0.83 PTGER4 (0.91) PTGER4PTGER2PTGER3PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271183-B2 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC (US) 2007-09-18 US claimed
EP-1585729-A1 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-10-19 EP claimed
WO-2004063158-A1 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-07-29 WO claimed
US-20040142969-A1 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC 2004-07-22 US claimed
US-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents ELWORTHY TODD R 2008-03-06 US disclosed
US-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents ELWORTHY TODD R 2008-03-06 US disclosed
US-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents ELWORTHY TODD R 2008-03-06 US disclosed
US-7271183-B2 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC (US) 2007-09-18 US disclosed
US-7271183-B2 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC (US) 2007-09-18 US disclosed
US-7271183-B2 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC (US) 2007-09-18 US disclosed
EP-1585729-A1 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-10-19 EP disclosed
WO-2004063158-A1 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-07-29 WO disclosed
US-20040142969-A1 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC 2004-07-22 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-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents C3AR1, C1R, HRH4 PTGER4 187/4885PTGER2 616/4885PTGER3 172/4885
US-20040142969-A1 2-Piperidone derivatives as prostaglandin agonists PTGER1, PTGER2, PTGER4 PTGER4 3/4885PTGER2 2/4885PTGER3 4/4885

“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.