SCHEMBL3738579

SCHEMBL3738579

Cc1ccc(-c2nc3cc(CC[C@](C)(CO)NC(=O)OC(C)(C)C)ccc3o2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
MAPT P10636 7/20 0.47
THRB P10828 5/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CETP P11597 1/20 0.42
POLB P06746 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPSE Q9Y251 1/20 0.40
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 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
SCHEMBL3736265 0.86 S1PR1 (0.47) TP53SMN1; SMN2CETPPOLBHPSE
SCHEMBL3736330 0.86 KDR (0.47) MAPTTP53SMN1; SMN2CETPPOLB
SCHEMBL3733136 0.84 HDAC6 (0.50) MAPTTP53SMN1; SMN2CETPPOLB
SCHEMBL6048297 0.83 CETP (0.44) MAPTLMNATP53SMN1; SMN2CETP
SCHEMBL3734221 0.83 CETP (0.44) MAPTLMNATP53SMN1; SMN2CETP
SCHEMBL3742292 0.82 S1PR1 (0.42) CETPPOLBHPSENPC1CASP3
SCHEMBL3728482 0.82 UTRN (0.48) MAPTTHRBTP53SMN1; SMN2CETP
SCHEMBL3741781 0.82 P2RY14 (0.45) MAPTTHRBLMNATP53SMN1; SMN2
SCHEMBL3733297 0.81 S1PR1 (0.43) MAPTTHRBTP53SMN1; SMN2POLB
SCHEMBL3730952 0.81 MAPT (0.52) MAPTTHRBTP53SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825260-B2 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2006-09-21 US disclosed
EP-1622866-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096757-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2004-11-11 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-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators S1PR1, S1PR3, S1PR2 SLC2A1 2226/4885MAPT 3855/4885THRB 208/4885

“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.