SCHEMBL3164113

SCHEMBL3164113

CCCCCOCCOc1ccc(C(=O)NN)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.57
THRB P10828 2/20 0.57
S1PR1 P21453 6/20 0.50
PLA2G2D Q9UNK4 1/20 0.47
SMPD1 P17405 6/20 0.47
S1PR4 O95977 2/20 0.43
S1PR5 Q9H228 2/20 0.43
CNR2 P34972 1/20 0.43
PPARD Q03181 1/20 0.41

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
SCHEMBL1172844 0.93 THRA (0.65) THRATHRBS1PR1PLA2G2DSMPD1
SCHEMBL3171378 0.88 THRA (0.61) THRATHRBS1PR1PLA2G2D
SCHEMBL14274174 0.83 PLA2G2D (0.51) PLA2G2DSMPD1CNR2
SCHEMBL4785017 0.81 THRA (0.68) THRATHRBS1PR1PLA2G2D
SCHEMBL2466292 0.80 THRA (0.70) THRATHRBS1PR1PLA2G2D
SCHEMBL1171751 0.80 THRA (0.70) THRATHRBS1PR1PLA2G2D
SCHEMBL2957056 0.79 THRA (0.69) THRATHRBS1PR1PLA2G2DSMPD1
SCHEMBL14291418 0.79 THRA (0.49) THRATHRBS1PR1PLA2G2DSMPD1
SCHEMBL27669784 0.79 THRA (0.65) THRATHRBS1PR1PLA2G2D
SCHEMBL28610518 0.79 SMPD1 (0.67) THRATHRBSMPD1CNR2

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 9 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
US-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-21 US disclosed
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
US-20080070866-A1 Chemical compounds PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US 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
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 THRA 593/4885THRB 592/4885S1PR1 1/4885
US-20080070866-A1 Chemical compounds S1PR1, S1PR2, S1PR5 THRA 1994/4885THRB 1533/4885S1PR1 1/4885

“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.