SCHEMBL5852489

SCHEMBL5852489

CCCCCC(O)CCN1C(=O)CSC1CCCCCCCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.57
PTGER2 P43116 8/20 0.57
PTGER3 P43115 8/20 0.57
FFAR4 Q5NUL3 1/20 0.52
FFAR1 O14842 1/20 0.52
TBXA2R P21731 1/20 0.50
PTGFR P43088 1/20 0.50
PTGER1 P34995 1/20 0.44
TSHR P16473 2/20 0.41
TBXAS1 P24557 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL11727538 1.00 PTGER4 (0.57) PTGER4PTGER2PTGER3FFAR4FFAR1
SCHEMBL11727535 1.00 PTGER4 (0.57) PTGER4PTGER2PTGER3FFAR4FFAR1
SCHEMBL11727526 1.00 PTGER4 (0.57) PTGER4PTGER2PTGER3FFAR4FFAR1
SCHEMBL11659858 0.91 PTGER4 (0.66) PTGER4PTGER2PTGER3FFAR4FFAR1
SCHEMBL11659856 0.91 PTGER4 (0.66) PTGER4PTGER2PTGER3FFAR4FFAR1
SCHEMBL11659097 0.91 PTGER4 (0.66) PTGER4PTGER2PTGER3FFAR4FFAR1
SCHEMBL11727905 0.89 PTGER2 (0.45) PTGER4PTGER2PTGER3FFAR4FFAR1
SCHEMBL11732298 0.89 PTGER2 (0.45) PTGER4PTGER2PTGER3FFAR4FFAR1
SCHEMBL11732308 0.89 PTGER2 (0.45) PTGER4PTGER2PTGER3FFAR4FFAR1
SCHEMBL11728345 0.86 PTGER4 (0.42) PTGER4PTGER2PTGER3FFAR4FFAR1

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.