SCHEMBL385593

SCHEMBL385593

CC[C@](N)(CO)CCc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.40
TNNC1 P63316 5/20 0.40
S1PR3 Q99500 3/20 0.40
SGPL1 O95470 1/20 0.40
S1PR4 O95977 1/20 0.40
GPR183 P32249 1/20 0.40
CERS2 Q96G23 1/20 0.40
S1PR5 Q9H228 1/20 0.40
ALDH1A1 P00352 3/20 0.39
RIPK1 Q13546 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX5 P09917 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL385865 0.80 ALDH1A1 (0.44) ALDH1A1RIPK1MEN1POLBMAPT
SCHEMBL14443187 0.71 ALDH1A1 (0.43) ALDH1A1RIPK1MEN1POLBMAPT
SCHEMBL26657702 0.70 ALDH1A1 (0.40) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL1532367 0.68
SCHEMBL414949 0.68
SCHEMBL8146532 0.67 ALDH1A1 (0.54) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL17473820 0.67 RIPK1 (0.48) ALDH1A1RIPK1MEN1MAPTKMT2A
Propanol SCHEMBL28843016 0.67 RAB9A (0.45) ALDH1A1RIPK1MEN1POLBMAPT
Ammonia Solution, Strong SCHEMBL9755558 0.67
Ammonia Solution, Strong SCHEMBL29199448 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 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 (5 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-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT S1PR1 257/4885TNNC1 4429/4885S1PR3 414/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 S1PR1 159/4885TNNC1 2864/4885S1PR3 194/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB S1PR1 465/4885TNNC1 3432/4885S1PR3 504/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 S1PR1 70/4885TNNC1 3188/4885S1PR3 89/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A S1PR1 593/4885TNNC1 4559/4885S1PR3 622/4885

“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.