SCHEMBL15705335

SCHEMBL15705335

CCCCCCCc1nc(-c2ccc(CNCCCCC)cc2)no1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.78
S1PR1 P21453 3/20 0.78
S1PR3 Q99500 3/20 0.78
LPAR2 Q9HBW0 2/20 0.78
HRH4 Q9H3N8 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
SPHK1 Q9NYA1 5/20 0.56
PPARA Q07869 1/20 0.52
SPHK2 Q9NRA0 1/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL15706856 0.87 S1PR2 (0.67) S1PR2S1PR1S1PR3LPAR2HRH4
SCHEMBL6725294 0.85 S1PR1 (0.62) S1PR2S1PR1S1PR3LPAR2SPHK1
SCHEMBL16080632 0.84 L3MBTL1 (0.62) S1PR2S1PR1S1PR3LPAR2SPHK1
SCHEMBL3264894 0.84 SPHK1 (0.67) S1PR2S1PR1S1PR3LPAR2SPHK1
Hydrochloric Acid SCHEMBL1856614 0.84 S1PR1 (0.61) S1PR2S1PR1S1PR3LPAR2SPHK1
SCHEMBL1314770 0.82 SPHK1 (0.64) S1PR2S1PR1S1PR3LPAR2SPHK1
SCHEMBL1312134 0.82 SPHK1 (0.64) S1PR2S1PR1S1PR3LPAR2SPHK1
SCHEMBL1312757 0.82 SPHK1 (0.64) S1PR2S1PR1S1PR3LPAR2SPHK1
SCHEMBL1311624 0.82 SPHK1 (0.64) S1PR2S1PR1S1PR3LPAR2SPHK1
Hydrochloric Acid SCHEMBL26691018 0.81 S1PR1 (0.64) S1PR2S1PR1S1PR3LPAR2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-09-18 US disclosed
US-8722712-B2 Substituted aryl 1 ,2,4-oxadiazoles derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-05-13 US 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 (1 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-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR4 S1PR2 4/4885S1PR1 2/4885S1PR3 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.