SCHEMBL4287044

SCHEMBL4287044

O=C(O)C1(C(=O)O)CCN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.72
S1PR5 Q9H228 15/20 0.72
S1PR4 O95977 13/20 0.72
S1PR3 Q99500 10/20 0.72
HRH3 Q9Y5N1 3/20 0.44
PDGFRA P16234 1/20 0.43
SLC6A5 Q9Y345 1/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42

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
SCHEMBL27712601 0.92 S1PR1 (0.63) S1PR1S1PR5S1PR4S1PR3HRH3
SCHEMBL1372761 0.84 S1PR5 (1.00) S1PR1S1PR5S1PR4S1PR3PDGFRA
SCHEMBL6182824 0.82 S1PR5 (1.00) S1PR1S1PR5S1PR4S1PR3PDGFRA
SCHEMBL5794112 0.81 S1PR1 (0.52) S1PR1S1PR5S1PR4S1PR3HRH3
SCHEMBL5794118 0.81 S1PR5 (0.52) S1PR1S1PR5S1PR4S1PR3HRH3
SCHEMBL13938026 0.80 S1PR1 (0.78) S1PR1S1PR5S1PR4S1PR3PDGFRA
SCHEMBL14302589 0.79 S1PR5 (0.78) S1PR1S1PR5S1PR4S1PR3PDGFRA
SCHEMBL4286843 0.79 S1PR1 (0.61) S1PR1S1PR5S1PR4S1PR3
SCHEMBL4287128 0.79 S1PR1 (0.58) S1PR1S1PR5S1PR4S1PR3
SCHEMBL4949657 0.78 S1PR1 (0.67) S1PR1S1PR5S1PR4S1PR3

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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US claimed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 WO 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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES S1PR2, S1PR1, S1PR5 S1PR1 2/4885S1PR5 3/4885S1PR4 5/4885

“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.