SCHEMBL3176715

SCHEMBL3176715

CC1(C)OCC(C)(C(=O)NNC(=O)c2ccc(OCCCO[Si](C)(C)C(C)(C)C)c(C(F)(F)F)c2)N1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.36
RAF1 P04049 1/20 0.36
ARAF P10398 1/20 0.36
S1PR1 P21453 8/20 0.34
SCN9A Q15858 2/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PPARD Q03181 4/20 0.33
PPARA Q07869 4/20 0.33
PPARG P37231 3/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL13527844 0.92 SCN9A (0.35) BRAFRAF1ARAFS1PR1SCN9A
SCHEMBL4018047 0.88 THRA (0.45) S1PR1SCN9ATHRATHRBRXRA
SCHEMBL1171971 0.87 THRA (0.47) S1PR1THRATHRBRXRAPPARD
SCHEMBL2955178 0.87 THRA (0.47) S1PR1THRATHRBRXRAPPARD
SCHEMBL3170139 0.86 RXRA (0.36) BRAFRAF1ARAFS1PR1SCN9A
SCHEMBL3180727 0.85 THRA (0.43) BRAFRAF1ARAFS1PR1SCN9A
SCHEMBL2952131 0.85 PDE4A (0.37) BRAFRAF1ARAFS1PR1SCN9A
SCHEMBL2946699 0.84 S1PR1 (0.37) S1PR1SCN9ATHRATHRBRXRA
SCHEMBL2947000 0.84 RXRA (0.44) RXRARXRBRXRGPPARDPPARG
SCHEMBL2952120 0.83 SCN9A (0.37) BRAFRAF1ARAFS1PR1SCN9A

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 BRAF 1285/4885RAF1 816/4885ARAF 989/4885
US-20080070866-A1 Chemical compounds S1PR1, S1PR2, S1PR5 BRAF 928/4885RAF1 580/4885ARAF 1084/4885

“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.