SCHEMBL3182257

SCHEMBL3182257

NNC(=O)c1ccc(OCCCOCc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
S1PR1 P21453 1/20 0.46
MAPT P10636 4/20 0.44
MRGPRX4 Q96LA9 5/20 0.44
HDAC6 Q9UBN7 2/20 0.41
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
STAT3 P40763 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL3178999 0.89 RXRA (0.56) ALDH1A1RXRARXRBRXRGMRGPRX4
SCHEMBL2950475 0.88 RXRA (0.59) ALDH1A1RXRARXRBRXRGMAPT
SCHEMBL2952602 0.86 PDE4A (0.49) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL2953220 0.85 PDE4A (0.48) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL3164113 0.79 THRA (0.57) S1PR1SMPD1THRATHRB
SCHEMBL1172844 0.78 THRA (0.65) S1PR1SMPD1THRATHRB
SCHEMBL23864990 0.76 RXRA (0.42) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL3170139 0.76 RXRA (0.36) RXRARXRBRXRGS1PR1
SCHEMBL22308853 0.76 BRD4 (0.61) ALDH1A1RXRARXRBRXRGMRGPRX4
SCHEMBL79709 0.76 RXRA (0.72) RXRARXRBRXRGMRGPRX4MEN1

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 8 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
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 ALDH1A1 2799/4885RXRA 1572/4885RXRB 1579/4885
US-20080070866-A1 Chemical compounds S1PR1, S1PR2, S1PR5 ALDH1A1 1459/4885RXRA 1484/4885RXRB 1268/4885

“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.