SCHEMBL2279534

SCHEMBL2279534

CCOC(=O)c1nn(C)c(OC(=O)c2ccc(C)cc2)c1C(C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 1/20 0.41
GLA P06280 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4114744 0.85 ALDH1A1 (0.43) ELANEMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL4116354 0.82 ELANE (0.46) ELANEMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL2283931 0.80 ALDH1A1 (0.46) ELANEMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL2280964 0.76 MAPT (0.38) MAPTALDH1A1SMN1; SMN2SLC5A1SLC5A2
SCHEMBL2279331 0.68 ALDH1A1 (0.45) ELANEMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL235800 0.68 CA2 (0.73) MAPTALDH1A1NPC1RAB9ANPSR1
Hydrochloric Acid SCHEMBL28242785 0.67 CA2 (0.70) MAPTALDH1A1NPC1RAB9ANPSR1
SCHEMBL4130076 0.67 SMN1; SMN2 (0.50) ELANEMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8205439 0.66 PRSS1 (0.64) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL7973221 0.66 ALDH1A1 (0.51) ELANEMAPTALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 EP 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 ELANE 1519/4885MAPT 3475/4885ALDH1A1 2969/4885

“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.