Sugi Predict

Sugi Predict / Compounds / SCHEMBL296830

SCHEMBL296830

SCHEMBL296830

CCCCCOc1ccc(CC[C@](C)(CO)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.54
▸ S1PR4 O95977 5/20 0.54
▸ S1PR3 Q99500 5/20 0.54
▸ S1PR5 Q9H228 4/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SLCO1B3 Q9NPD5 1/20 0.43
▸ SLCO1B1 Q9Y6L6 1/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL1624956 0.99 S1PR1 (0.56) S1PR1S1PR4S1PR3S1PR5SMN1; SMN2
SCHEMBL12721394 0.99 S1PR1 (0.56) S1PR1S1PR4S1PR3S1PR5SMN1; SMN2
SCHEMBL13628910 0.98 S1PR1 (0.50) S1PR1S1PR4S1PR3S1PR5SMN1; SMN2
SCHEMBL3741361 0.90 S1PR1 (0.44) S1PR1S1PR4S1PR3S1PR5
SCHEMBL6258194 0.90 S1PR1 (0.53) S1PR1S1PR4S1PR3S1PR5SMN1; SMN2
SCHEMBL6236920 0.89 S1PR1 (0.55) S1PR1S1PR4S1PR3S1PR5SMN1; SMN2
SCHEMBL6241196 0.89 S1PR1 (0.55) S1PR1S1PR4S1PR3S1PR5SMN1; SMN2
SCHEMBL6261341 0.89 S1PR1 (0.55) S1PR1S1PR4S1PR3S1PR5SMN1; SMN2
SCHEMBL6257363 0.89 S1PR1 (0.55) S1PR1S1PR4S1PR3S1PR5SMN1; SMN2
SCHEMBL688475 0.88 PPARG (0.47) S1PR1S1PR4S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636171-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-03-14 — — EP disclosed
US-7696184-B2 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2010-04-13 — — US disclosed
US-7326801-B2 2-amino-propanol derivatives NOVARTIS AG (CH) 2008-02-05 — — US disclosed
US-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2007-01-11 — — US disclosed
US-20040147490-A1 2-Amino-propanol derivatives ALBERT RAINER (CH) 2004-07-29 — — US disclosed
EP-1377593-A2 2-AMINO-PROPANOL DERIVATIVES Novartis AG (CH) 2004-01-07 — — EP disclosed
WO-2002076995-A2 2-AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2002-10-03 — — 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-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR4 4/4885S1PR3 2/4885
US-20040147490-A1 2-Amino-propanol derivatives CD4, HLA-DRB1, CCR1 S1PR1 525/4885S1PR4 1260/4885S1PR3 493/4885

“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.