SCHEMBL4297210

SCHEMBL4297210

C[C@](CO)(CCc1ccc(O)cc1)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
F13A1 P00488 1/20 0.42
BLM P54132 1/20 0.41
ESRRG P62508 3/20 0.41
ESRRB O95718 2/20 0.41
CA2 P00918 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4297214 1.00 KDM4E (0.42) KDM4EF13A1BLMESRRGESRRB
SCHEMBL567236 0.87 NPC1 (0.47) ALDH1A1CYP3A4MEN1KMT2ANPC1
SCHEMBL12721376 0.84 CTSS (0.43) KDM4EF13A1ESRRGESRRBCA2
SCHEMBL1625903 0.84 CTSS (0.43) KDM4EF13A1ESRRGESRRBCA2
SCHEMBL28014304 0.82 SSTR4 (0.47) KDM4EF13A1BLMESRRGESRRB
SCHEMBL687546 0.77 PPARA (0.48) ALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL687545 0.77 PPARA (0.48) ALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL4343633 0.76 S1PR1 (0.48)
SCHEMBL4343640 0.76 S1PR1 (0.48)
SCHEMBL12721396 0.75 NPC1 (0.44) CA2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625950-B2 Mono phosphoric acid mono-{2-amino-2-hydroxymethyl-4-[4-(3-phenoxy-propoxy)-phenyl]-butyl} ester; treatment, prevention of diseases or disorders mediated by lymphocytes interactions in transplantation; anticarcinogenic agent, antiinflammatory agent, antiproliferative agent, antidiabetic agent NOVARTIS AG (CH) 2009-12-01 US disclosed
US-7612238-B2 Such as (R)-2-amino-2-methyl-4-[4-(4,4,5,5,5-pentafluoro-pentyloxy)-phenyl]-butan-1-ol hydrochloride for treatment of disorders or diseases mediated by lymphocytes, and for treating acute or chronic transplant rejection or T-cell-mediated inflammatory or autoimmune diseases NOVARTIS AG (CH) 2009-11-03 US disclosed
US-20060211658-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2006-09-21 US disclosed
US-20060166940-A1 Amino-propanol derivatives NOVARTIS AG (CH) 2006-07-27 US disclosed
EP-1622860-A1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR Novartis AG (CH) 2006-02-08 EP disclosed
EP-1539674-A1 AMINO-PROPANOL DERIVATIVES Novartis AG (CH) 2005-06-15 EP disclosed
WO-2004096752-A1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR NOVARTIS AG (CH) 2004-11-11 WO disclosed
WO-2004024673-A1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2004-03-25 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-20060166940-A1 Amino-propanol derivatives ADRB1, ADRB3, ADRA1D KDM4E 1747/4885F13A1 1072/4885BLM 4587/4885
US-20060211658-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator S1PR1, S1PR3, S1PR2 KDM4E 2384/4885F13A1 1365/4885BLM 4633/4885

“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.