SCHEMBL2955178

SCHEMBL2955178

CCCCCCCCOc1ccc(C(=O)NNC(=O)C2(C)COC(C)(C)N2C(=O)O)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
S1PR1 P21453 3/20 0.43
PPARD Q03181 3/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
PLA2G2D Q9UNK4 1/20 0.41
CNR2 P34972 2/20 0.39
SMPD1 P17405 6/20 0.39
RXRA P19793 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
SCHEMBL1171971 1.00 THRA (0.47) THRATHRBS1PR1PPARDPPARG
SCHEMBL4018047 0.99 THRA (0.45) THRATHRBS1PR1PPARDPPARG
SCHEMBL3180727 0.96 THRA (0.43) THRATHRBS1PR1PPARDPPARG
SCHEMBL3944697 0.91 THRA (0.45) THRATHRBS1PR1PPARDPPARG
SCHEMBL2945531 0.90 THRA (0.44) THRATHRBS1PR1PPARDPPARG
SCHEMBL2945532 0.90 THRA (0.44) THRATHRBS1PR1PPARDPPARG
SCHEMBL2946699 0.90 S1PR1 (0.37) THRATHRBS1PR1PPARDPPARG
SCHEMBL2952131 0.90 PDE4A (0.37) THRATHRBS1PR1PPARDPPARG
SCHEMBL2957287 0.89 THRA (0.52) THRATHRBS1PR1PPARDPPARG
SCHEMBL4024878 0.87 PLA2G2D (0.39) THRATHRBPPARDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759370-B2 Sphingosine-1-phosphate (SIP) receptor agonists Praecis Pharmaceuticals (US) 2010-07-20 US disclosed
US-20100009936-A1 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-14 US disclosed
EP-2046746-A2 CHEMICAL COMPOUNDS Praecis Pharmaceuticals Incorporated (US) 2009-04-15 EP disclosed
US-20080096938-A1 Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-04-24 US disclosed
WO-2008016692-A2 CHEMICAL COMPOUNDS 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-20080096938-A1 Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example S1PR1, S1PR2, S1PR5 THRA 1049/4885THRB 909/4885S1PR1 1/4885
US-20100009936-A1 CHEMICAL COMPOUNDS CD4, ICOS, NFATC1 THRA 767/4885THRB 639/4885S1PR1 12/4885

“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.