SCHEMBL2164170

SCHEMBL2164170

CC(C)(C)OC(=O)N=C(N)N(CCc1ccc(OCCCCCCOc2ccc(CCN(C(=O)OC(C)(C)C)C(N)=NC(=O)OC(C)(C)C)cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.41
S1PR4 O95977 4/20 0.41
S1PR3 Q99500 4/20 0.41
S1PR5 Q9H228 3/20 0.41
LTB4R Q15722 3/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
HRH3 Q9Y5N1 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
PPARA Q07869 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
SCHEMBL8553047 0.85 ESRRG (0.38) L3MBTL1CA2
SCHEMBL20487133 0.83 MAPT (0.35)
SCHEMBL991813 0.78 HDAC1 (0.36) L3MBTL1
SCHEMBL16208901 0.78 PSMD10 (0.35) CA1CA2
SCHEMBL206993 0.77 ACHE (0.34) L3MBTL1
SCHEMBL16216333 0.76 GRM2 (0.39) PPARA
SCHEMBL20852620 0.76 GRM2 (0.39) PPARA
SCHEMBL304721 0.76 LMNA (0.32)
SCHEMBL26961859 0.74 L3MBTL1 (0.46) L3MBTL1CA12CA1CA2CA9
SCHEMBL6284923 0.74 CA14 (0.33) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703825-B2 Compounds, use thereof as medicaments, and method of preparation thereof UNIVERSITE DE LORRAINE (FR) 2014-04-22 US disclosed
US-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF UNIVERSITE HENRI POINCARE NANCY 1 (FR) 2011-07-28 US 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-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF CYP11B2, NPM1, B2M S1PR1 1864/4885S1PR4 2357/4885S1PR3 1665/4885

“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.