SCHEMBL802991

SCHEMBL802991

Cc1ccc(-c2ccc(COCCCP(C)(=O)O)nc2-c2ccccc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 9/20 0.86
PDE10A Q9Y233 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
CNR1 P21554 2/20 0.34
GPR84 Q9NQS5 1/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
LTB4R Q15722 2/20 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
SCHEMBL803396 0.93 S1PR3 (1.00) S1PR3PDE10ATDP1CNR1GPR84
SCHEMBL2834033 0.85 S1PR3 (0.76) S1PR3PDE10A
SCHEMBL2834036 0.85 S1PR3 (0.74) S1PR3PDE10ACNR1LTB4R
SCHEMBL803571 0.82 S1PR3 (1.00) S1PR3PDE10AGPR84
SCHEMBL14272852 0.81 S1PR3 (0.86) S1PR3TDP1CNR1
SCHEMBL802972 0.81 S1PR3 (0.85) S1PR3PDE10A
SCHEMBL2836970 0.76 S1PR3 (0.78) S1PR3PDE10A
SCHEMBL2836971 0.76 S1PR3 (0.76) S1PR3PDE10A
SCHEMBL2834796 0.75 S1PR3 (0.67) S1PR3
SCHEMBL2829623 0.73 S1PR3 (0.57) S1PR3PDE10ATDP1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071448-A1 S1P3 Receptor Inhibitors for Treating Conditions of the Eye ALLERGAN, INC. (US) 2012-03-22 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-20120071448-A1 S1P3 Receptor Inhibitors for Treating Conditions of the Eye S1PR3, S1PR1, S1PR2 S1PR3 1/4885PDE10A 1000/4885TDP1 3381/4885

“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.