SCHEMBL4292093

SCHEMBL4292093

CCCCCCCCCCOc1ccc(CCNC2CCC(C(=O)O)(C(=O)O)C2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
LPAR2 Q9HBW0 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 6/20 0.39
CNR1 P21554 5/20 0.39
PPARA Q07869 3/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL4433999 1.00 S1PR2 (0.46) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL4289431 0.91 S1PR2 (0.49) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL4287826 0.91 S1PR2 (0.49) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL4294265 0.91 S1PR2 (0.49) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL5819790 0.86 S1PR1 (0.37) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL5795188 0.85 S1PR1 (0.43) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL4294005 0.82 SPHK1 (0.48) S1PR2S1PR1S1PR3
SCHEMBL4295481 0.82 SPHK1 (0.48) S1PR2S1PR1S1PR3
SCHEMBL4287080 0.81 PPARA (0.40) MEN1KMT2ACNR2CNR1PPARA
SCHEMBL13659717 0.80 PPARA (0.40) MEN1KMT2ACNR2CNR1PPARA

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 2 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

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 S1PR2 1/4885S1PR1 2/4885S1PR3 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.