SCHEMBL5397755

SCHEMBL5397755

C=CCON=C(C)c1ccc(-c2ccc(CCC(N)(CO)CO)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
S1PR1 P21453 12/20 0.43
TNNC1 P63316 6/20 0.43
S1PR3 Q99500 3/20 0.43
SGPL1 O95470 1/20 0.43
S1PR4 O95977 1/20 0.43
GPR183 P32249 1/20 0.43
CERS2 Q96G23 1/20 0.43
S1PR5 Q9H228 1/20 0.43
SPHK2 Q9NRA0 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38

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
SCHEMBL14593328 1.00 SMN1; SMN2 (0.43) SMN1; SMN2S1PR1TNNC1S1PR3SGPL1
SCHEMBL14593387 0.90 S1PR1 (0.41) SMN1; SMN2S1PR1TNNC1S1PR3SGPL1
SCHEMBL14593245 0.82 S1PR1 (0.51) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL5564657 0.81 S1PR1 (0.55) SMN1; SMN2S1PR1TNNC1S1PR3SGPL1
SCHEMBL11927165 0.81 S1PR1 (0.55) SMN1; SMN2S1PR1TNNC1S1PR3SGPL1
SCHEMBL6275322 0.73 SMN1; SMN2 (0.46) SMN1; SMN2S1PR1
SCHEMBL13215225 0.73 SMN1; SMN2 (0.46) SMN1; SMN2S1PR1
SCHEMBL16202061 0.72 SMN1; SMN2 (0.54) SMN1; SMN2S1PR1
SCHEMBL27904591 0.72 S1PR1 (0.57) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL5559723 0.71 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5

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
EP-1511473-B1 BIS-AROMATIC ALKANOLS NOVARTIS AG (CH) 2013-04-17 EP disclosed
US-7169817-B2 Bis-aromatic alkanols IRM LLC (BM) 2007-01-30 US disclosed
US-20040048857-A1 Treatment and/or prevention of diseases or disorders mediated by lymphocyte interactions. IRM LLC (BM) 2004-03-11 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-20040048857-A1 Treatment and/or prevention of diseases or disorders mediated by lymphocyte interactions. CD4, HLA-DRB1, MALT1 SMN1; SMN2 1231/4885S1PR1 1541/4885TNNC1 2029/4885

“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.