SCHEMBL3736444

SCHEMBL3736444

CCCCCc1nc2cc(CC[C@](C)(COP(=O)(O)ON)NC(=O)OC(C)(C)C)ccc2o1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.37
S1PR3 Q99500 5/20 0.37
RAB9A P51151 6/20 0.35
NPC1 O15118 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR4 O95977 5/20 0.34
S1PR5 Q9H228 5/20 0.34
GAA P10253 1/20 0.34
S1PR2 O95136 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
Ammonia Solution, Strong SCHEMBL3736441 0.91 S1PR1 (0.41) S1PR1S1PR3RAB9ANPC1MEN1
SCHEMBL3738560 0.86 MEN1 (0.42) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL3746564 0.78 RAB9A (0.37) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL3734878 0.77 S1PR1 (0.57) S1PR1S1PR3MEN1KMT2AS1PR4
SCHEMBL26554177 0.75 TSHR (0.49) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL29437076 0.75 TSHR (0.52) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL26554184 0.75 TSHR (0.52) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL3743500 0.75 GAA (0.36) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL26554128 0.74 LMNA (0.46) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL3737015 0.73 MEN1 (0.45) RAB9ANPC1MEN1KMT2AGAA

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-1622866-B1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-07-25 EP disclosed
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 S1PR1 1/4885S1PR3 2/4885RAB9A 1894/4885

“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.