SCHEMBL4296545

SCHEMBL4296545

CCCCCCCCCc1ccc(CN(C)C2CCC(C(=O)O)(C(=O)OCC)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.40
THRA P10827 5/20 0.39
THRB P10828 5/20 0.39
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 3/20 0.38
S1PR4 O95977 2/20 0.38
S1PR5 Q9H228 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.38
SPHK2 Q9NRA0 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RARB P10826 4/20 0.38
RARA P10276 1/20 0.38
MTOR P42345 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
SCHEMBL4296065 1.00 SPHK1 (0.40) SPHK1THRATHRBS1PR1S1PR3
SCHEMBL4289401 0.95 SPHK1 (0.42) SPHK1THRATHRBS1PR1S1PR3
SCHEMBL4286874 0.94 S1PR1 (0.41) SPHK1THRATHRBS1PR1S1PR3
SCHEMBL4295476 0.91 SPHK1 (0.44) SPHK1THRATHRBS1PR1S1PR3
SCHEMBL13659715 0.91 SPHK1 (0.44) SPHK1THRATHRBS1PR1S1PR3
Hydrochloric Acid SCHEMBL4290826 0.90 SPHK1 (0.43) SPHK1THRATHRBS1PR1S1PR3
SCHEMBL5795054 0.90 SPHK1 (0.33) SPHK1THRATHRBS1PR1S1PR3
SCHEMBL4288723 0.90 THRA (0.42) SPHK1THRATHRBS1PR1S1PR3
SCHEMBL4297646 0.87 ALDH1A1 (0.47) SPHK1THRATHRBS1PR1S1PR3
SCHEMBL4287094 0.85 POLB (0.32) THRATHRBMAPTPOLBPKM

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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US claimed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES S1PR2, S1PR1, S1PR5 SPHK1 7/4885THRA 973/4885THRB 965/4885

“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.