SCHEMBL3170139

SCHEMBL3170139

CC1(C)OCC(C)(C(=O)NNC(=O)c2ccc(OCCCOCc3ccccc3)c(C(F)(F)F)c2)N1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
S1PR1 P21453 7/20 0.36
BRD4 O60885 6/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
HTT P42858 1/20 0.35
SCN9A Q15858 1/20 0.34
RAF1 P04049 1/20 0.34
ARAF P10398 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL2947000 0.92 RXRA (0.44) RXRARXRBRXRGBRD4PPARG
SCHEMBL13527855 0.92 KIT (0.35) RXRARXRBRXRGS1PR1BRD4
SCHEMBL2952131 0.91 PDE4A (0.37) RXRARXRBRXRGS1PR1PPARG
SCHEMBL2946699 0.91 S1PR1 (0.37) RXRARXRBRXRGS1PR1PPARG
SCHEMBL3180727 0.88 THRA (0.43) RXRAS1PR1PPARGPPARDSCN9A
SCHEMBL4018047 0.88 THRA (0.45) RXRAS1PR1PPARGPPARDSCN9A
SCHEMBL1171971 0.87 THRA (0.47) RXRAS1PR1PPARGPPARD
SCHEMBL2955178 0.87 THRA (0.47) RXRAS1PR1PPARGPPARD
SCHEMBL3176715 0.86 BRAF (0.36) RXRARXRBRXRGS1PR1PPARG
SCHEMBL13238217 0.83 RXRA (0.41) RXRARXRBRXRGBRD4PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-21 US disclosed
EP-2046766-A1 AGONISTS OF THE SPHINGOSINE- 1- PHOSPHATE RECEPTOR (SLP) Praecis Pharmaceuticals Incorporated (US) 2009-04-15 EP disclosed
US-20080070866-A1 Chemical compounds PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2008016674-A1 AGONISTS OF THE SPHINGOSINE- 1- PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 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 (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-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) S1PR1, S1PR2, S1PR5 RXRA 1572/4885RXRB 1579/4885RXRG 1617/4885
US-20080070866-A1 Chemical compounds S1PR1, S1PR2, S1PR5 RXRA 1484/4885RXRB 1268/4885RXRG 1104/4885

“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.