SCHEMBL5166829

SCHEMBL5166829

CC(N)(CO)CCc1ccc(C(=O)CCCOc2ccc(Cl)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.40
S1PR1 P21453 4/20 0.40
S1PR4 O95977 3/20 0.40
S1PR3 Q99500 3/20 0.40
USP2 O75604 1/20 0.38
S1PR5 Q9H228 2/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 2/20 0.37
PPARG P37231 2/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL5167475 0.90 MAPT (0.40) PPARAS1PR1S1PR4S1PR3S1PR5
SCHEMBL5169702 0.90 S1PR1 (0.40) PPARAS1PR1S1PR4S1PR3S1PR5
SCHEMBL5167727 0.89 S1PR1 (0.40) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL5165561 0.89 S1PR4 (0.41) PPARAS1PR1S1PR4S1PR3S1PR5
SCHEMBL5169056 0.88 S1PR1 (0.39) S1PR1S1PR4S1PR3S1PR5HPGD
SCHEMBL5169521 0.88 PPARA (0.42) PPARAS1PR1S1PR4S1PR3S1PR5
SCHEMBL383910 0.87 S1PR1 (0.52) PPARAS1PR1S1PR4S1PR3USP2
SCHEMBL383412 0.86 S1PR1 (0.52) S1PR1S1PR4S1PR3S1PR5
SCHEMBL5167524 0.86 S1PR4 (0.43) PPARAS1PR1S1PR4S1PR3S1PR5
SCHEMBL5168691 0.85 PDIA6 (0.37) S1PR1S1PR4S1PR3S1PR5HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A PPARA 1299/4885S1PR1 1542/4885S1PR4 2494/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A PPARA 1299/4885S1PR1 1542/4885S1PR4 2494/4885

“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.