SCHEMBL2950475

SCHEMBL2950475

NNC(=O)c1ccc(OCc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.59
RXRB P28702 2/20 0.59
RXRG P48443 2/20 0.59
MRGPRX4 Q96LA9 7/20 0.55
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
HDAC6 Q9UBN7 2/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.52
NPC1 O15118 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
LMNA P02545 1/20 0.52
STAT3 P40763 1/20 0.52
STAT1 P42224 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL3182257 0.88 ALDH1A1 (0.49) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL79709 0.87 RXRA (0.72) RXRARXRBRXRGMRGPRX4MEN1
SCHEMBL22308853 0.86 BRD4 (0.61) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL2952602 0.85 PDE4A (0.49) RXRARXRBRXRGMRGPRX4HDAC1
SCHEMBL3901919 0.85 MRGPRX4 (0.69) RXRARXRBRXRGMRGPRX4MAPT
SCHEMBL2953220 0.84 PDE4A (0.48) RXRARXRBRXRGMRGPRX4HDAC1
SCHEMBL22288724 0.84 RXRA (0.53) RXRARXRBRXRGMRGPRX4HDAC6
SCHEMBL1437991 0.84 RXRA (0.61) RXRARXRBRXRGMRGPRX4HDAC6
SCHEMBL10323581 0.84 RXRA (0.61) RXRARXRBRXRGMRGPRX4HDAC6
SCHEMBL3550855 0.84 RXRA (0.61) RXRARXRBRXRGMRGPRX4HDAC6

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584726-B2 Amino alcohol derivative, pharmaceutical composition and application thereof BEIJING FORELAND PHARMA CO., LTD. (CN) 2023-02-21 US disclosed
US-20210347745-A1 AMINO ALCOHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF BEIJING FORELAND PHARMA CO., LTD. (CN) 2021-11-11 US disclosed
EP-3647309-A1 AMINO ALCOHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Beijing Foreland Pharma Co., Ltd. (CN) 2020-05-06 EP disclosed
US-7759370-B2 Sphingosine-1-phosphate (SIP) receptor agonists Praecis Pharmaceuticals (US) 2010-07-20 US disclosed
US-7759370-B2 Sphingosine-1-phosphate (SIP) receptor agonists Praecis Pharmaceuticals (US) 2010-07-20 US disclosed
US-7759370-B2 Sphingosine-1-phosphate (SIP) receptor agonists Praecis Pharmaceuticals (US) 2010-07-20 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
US-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-21 US disclosed
US-20100009936-A1 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-14 US 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
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
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
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-2008016692-A2 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 WO disclosed
WO-2008016692-A2 CHEMICAL COMPOUNDS 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
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 (6 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-20210347745-A1 AMINO ALCOHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SSB, HLA-DRB1, LCP2 RXRA 2215/4885RXRB 1732/4885RXRG 2490/4885
US-11584726-B2 Amino alcohol derivative, pharmaceutical composition and application thereof SSB, HLA-DRB1, LCP2 RXRA 2215/4885RXRB 1732/4885RXRG 2490/4885
US-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) S1PR1, S1PR2, S1PR5 RXRA 1572/4885RXRB 1579/4885RXRG 1617/4885
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 RXRA 1689/4885RXRB 1569/4885RXRG 1226/4885
US-20080070866-A1 Chemical compounds S1PR1, S1PR2, S1PR5 RXRA 1484/4885RXRB 1268/4885RXRG 1104/4885
US-20100009936-A1 CHEMICAL COMPOUNDS CD4, ICOS, NFATC1 RXRA 304/4885RXRB 273/4885RXRG 210/4885

“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.