Sugi Predict

Sugi Predict / Compounds / SCHEMBL296595

SCHEMBL296595

SCHEMBL296595

CCOc1ccc(CCOc2c(Cl)cc(CC[C@](C)(CO)NC(=O)OC(C)(C)C)cc2OCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KMT2A Q03164 4/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL295746 0.83 NPC1 (0.34) SMN1; SMN2L3MBTL1KMT2ALMNANPC1
SCHEMBL296488 0.82 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ANPSR1MAPTMEN1
SCHEMBL296184 0.79 S1PR2 (0.48) SMN1; SMN2KMT2ANPC1MAPTKDM4E
SCHEMBL3278508 0.78 NPC1 (0.34) SMN1; SMN2KMT2ALMNANPC1MAPT
SCHEMBL3278512 0.78 NPC1 (0.36) SMN1; SMN2KMT2ALMNANPC1MAPT
SCHEMBL13628910 0.78 S1PR1 (0.50) SMN1; SMN2L3MBTL1CYP1A2CYP2D6LMNA
SCHEMBL296295 0.76 SMN1; SMN2 (0.44) SMN1; SMN2KMT2ALMNANPC1MEN1
SCHEMBL296294 0.76 SMN1; SMN2 (0.44) SMN1; SMN2KMT2ALMNANPC1MEN1
SCHEMBL296830 0.76 S1PR1 (0.54) SMN1; SMN2KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL295593 0.76 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AHTTTHRB

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 5 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-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2007-01-11 — — US disclosed
EP-1636171-A2 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR Novartis AG (CH) 2006-03-22 — — EP disclosed
WO-2004110979-A2 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR NOVARTIS AG (CH) 2004-12-23 — — 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 (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-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator S1PR1, S1PR3, S1PR2 SMN1; SMN2 2873/4885L3MBTL1 3702/4885KMT2A 3863/4885

“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.