SCHEMBL10037548

SCHEMBL10037548

Cc1ccc(C(O)CC(CO)(CO)[N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 1/20 0.36
GAA P10253 2/20 0.36
ACHE P22303 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 3/20 0.34
PKM P14618 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.34
AGTR1 P30556 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
STAT3 P40763 1/20 0.33
LMNA P02545 2/20 0.32

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
SCHEMBL904219 0.84 GSR (0.42) NPC1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL28802116 0.79 ALDH1A1 (0.34) NPC1ALDH1A1KDM4EGAAHSD17B10
SCHEMBL901600 0.78 TNNC1 (0.47) ALDH1A1KDM4EACHEHSD17B10LMNA
SCHEMBL531072 0.73 ALDH1A1 (0.68) NPC1ALDH1A1KDM4EGAAACHE
Toluene SCHEMBL28766750 0.71 LMNA (0.41) NPC1ALDH1A1ACHEHSD17B10MAPT
SCHEMBL1687901 0.71 TSHR (0.40) NPC1ALDH1A1ACHEHSD17B10MAPT
SCHEMBL10037547 0.70 ALDH1A1 (0.46) NPC1ALDH1A1KDM4EGAAACHE
SCHEMBL506779 0.70 RIPK1 (0.42) ALDH1A1KDM4EACHEMAPTPKM
SCHEMBL24015547 0.69 ALDH1A1 (0.40) ALDH1A1KDM4EACHEMAPTPKM
SCHEMBL11981258 0.69 ALDH1A1 (0.40) ALDH1A1KDM4EACHEMAPTPKM

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
EP-2621886-B1 PROCESS FOR MAKING FINGOLIMOD SYNTHON BV (NL) 2018-05-02 EP disclosed
US-8735627-B2 Intermediate compounds and process for the preparation of fingolimod MAPI PHARMA LTD. (IL) 2014-05-27 US disclosed
US-20130217899-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD MAPI PHARMA LTD. (IL) 2013-08-22 US disclosed
WO-2012041359-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON B.V. (NL) 2012-04-05 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-20130217899-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD S1PR2, S1PR4, S1PR3 NPC1 1121/4885ALDH1A1 738/4885KDM4E 557/4885

“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.