SCHEMBL5854450

SCHEMBL5854450

CCCCCC(O)CCN1C(=O)CSC1CCCCCCP(C)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.39
PTGER2 P43116 9/20 0.39
PTGER3 P43115 7/20 0.39
S1PR2 O95136 2/20 0.35
S1PR4 O95977 2/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 1/20 0.35
DAGLA Q9Y4D2 1/20 0.34
FDPS P14324 3/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGFR P43088 2/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL5852426 0.99 PTGER4 (0.38) PTGER4PTGER2PTGER3S1PR2S1PR4
SCHEMBL11727538 0.83 PTGER4 (0.57) PTGER4PTGER2PTGER3PTGFRTBXA2R
SCHEMBL11727526 0.83 PTGER4 (0.57) PTGER4PTGER2PTGER3PTGFRTBXA2R
SCHEMBL5852489 0.83 PTGER4 (0.57) PTGER4PTGER2PTGER3PTGFRTBXA2R
SCHEMBL11727535 0.83 PTGER4 (0.57) PTGER4PTGER2PTGER3PTGFRTBXA2R
SCHEMBL11732308 0.80 PTGER2 (0.45) PTGER4PTGER2PTGER3PTGFRTBXA2R
SCHEMBL11732298 0.80 PTGER2 (0.45) PTGER4PTGER2PTGER3PTGFRTBXA2R
SCHEMBL11727905 0.80 PTGER2 (0.45) PTGER4PTGER2PTGER3PTGFRTBXA2R
SCHEMBL11731194 0.78 PTGER4 (0.49) PTGER4PTGER2PTGER3POLBPTGFR
SCHEMBL11178691 0.76 PTGER4 (0.59) PTGER4PTGER2PTGER3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115659-B2 Method of treating a condition by administering a prostaglandin derivative THE PROCTER & GAMBLE COMPANY (US) 2006-10-03 US disclosed
US-7074942-B2 2-decarboxy-2-phosphinico prostaglandin derivatives and methods for their preparation and use THE PROCTER & GAMBLE COMPANY (US) 2006-07-11 US disclosed
US-20050124588-A1 2-Decarboxy-2-phosphinico prostaglandin derivatives and methods for their preparation and use THE PROCTER & GAMBLE COMAPANY 2005-06-09 US disclosed
US-20050124587-A1 2-Decarboxy-2-phosphinico prostaglandin derivatives and methods for their preparation and use THE PROCTER & GAMBLE COMPANY 2005-06-09 US disclosed
US-6894175-B1 2-Decarboxy-2-phosphinico prostaglandin derivatives and methods for their preparation and use THE PROCTER & GAMBLE COMPANY (US) 2005-05-17 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-20050124588-A1 2-Decarboxy-2-phosphinico prostaglandin derivatives and methods for their preparation and use PTGDR2, PTGES2, PTGS2 PTGER4 36/4885PTGER2 5/4885PTGER3 61/4885
US-20050124587-A1 2-Decarboxy-2-phosphinico prostaglandin derivatives and methods for their preparation and use PTGES2, PTGES, PTGS2 PTGER4 32/4885PTGER2 5/4885PTGER3 54/4885

“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.