SCHEMBL2398671

SCHEMBL2398671

CCCCCCCCCCCCCC=CC(O)C(N)CON=[N+]=[N-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.61
ALDH1A1 P00352 3/20 0.61
S1PR4 O95977 2/20 0.61
S1PR3 Q99500 2/20 0.61
S1PR5 Q9H228 2/20 0.61
S1PR2 O95136 1/20 0.61
TSPO P30536 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
SPHK2 Q9NRA0 6/20 0.57
SPHK1 Q9NYA1 6/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
CETP P11597 4/20 0.57
MAPT P10636 3/20 0.57
GMNN O75496 2/20 0.57
LMNA P02545 2/20 0.57
GLA P06280 2/20 0.57
POLB P06746 2/20 0.57
THRB P10828 2/20 0.57

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
SCHEMBL8711520 1.00 S1PR1 (0.61) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL28591577 0.82 S1PR1 (0.65) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL28271876 0.79 SPHK2 (0.69) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL2721772 0.79 SPHK2 (0.69) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL526072 0.79 SPHK2 (0.69) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL12922735 0.79 SPHK2 (0.69) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL3822887 0.79 SPHK2 (0.69) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL29281204 0.79 SPHK2 (0.69) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL12966636 0.79 SPHK2 (0.69) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL13009766 0.77 SPHK2 (0.67) S1PR1ALDH1A1S1PR4S1PR3S1PR5

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854878-A4 SYNTHESIS OF GLYCOCONJUGATES OF THE LEWIS Y EPITOPE AND USES THEREOF SLOAN KETTERING INST CANCER (US) 2004-03-24 EP claimed
WO-2003101937-A1 SYNTHETIC METHODS FOR THE LARGE SCALE PRODUCTION FROM GLUCOSE OF ANALOGS OF SPHINGOSINE, AZIDOSPHINGOSINE, CERAMIDES, LACTOSYL CERAMIDES, AND GLYCOSYL PHYTOSPHINGOSINE BUNDLE DAVID R (CA) 2003-12-11 WO claimed
US-20020038017-A1 Synthesis of glycoconjugates of the lewis y epitope and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY 2002-03-28 US claimed
EP-0854878-A1 SYNTHESIS OF GLYCOCONJUGATES OF THE LEWIS Y EPITOPE AND USES THEREOF Sloan-Kettering Institute For Cancer Research (US) 1998-07-29 EP claimed
EP-0724562-B1 SYNTHESIS OF SPHINGOSINES VIRGINIA TECH INTELL PROP (US) 1998-06-03 EP claimed
WO-1997003995-A1 SYNTHESIS OF GLYCOCONJUGATES OF THE LEWIS Y EPITOPE AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1997-02-06 WO claimed
EP-0724562-A1 SYNTHESIS OF SPHINGOSINES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1996-08-07 EP claimed
US-5488167-A Synthesis of sphingosines VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1996-01-30 US claimed
US-5449836-A Acetal derivative chemical intermediates RHONE-POULENC NUTRITION ANIMALE (FR) 1995-09-12 US claimed
WO-1995011222-A1 SYNTHESIS OF SPHINGOSINES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1995-04-27 WO claimed
US-4918170-A Process for producing gangliosides WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-17 US claimed
JP-8053488-A None JP disclosed
JP-2049795-A None JP disclosed
JP-3101691-A None JP disclosed
US-9586984-B2 One-pot synthesis of alpha/beta-O-glycolipids THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-07 US disclosed
US-5380832-A Ganglioside GM3 analogs THE NISSHIN OIL MILLS, LTD. (JP) 1995-01-10 US disclosed
JP-H03101691-A GANGLIOSIDES AND INTERMEDIATE THEREFOR WAKO PURE CHEM IND LTD 1991-04-26 JP disclosed
US-4918170-A Process for producing gangliosides WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-17 US disclosed
US-4918170-A Process for producing gangliosides WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-17 US disclosed
JP-H0249795-A NOVEL PRODUCTION PROCESS FOR GANGLIOSIDES WAKO PURE CHEM IND LTD 1990-02-20 JP 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-20020038017-A1 Synthesis of glycoconjugates of the lewis y epitope and uses thereof UGCG, SGMS1, CERT1 S1PR1 77/4885ALDH1A1 2996/4885S1PR4 46/4885

“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.