SCHEMBL901600

SCHEMBL901600

CCCCCCCCc1ccc(C(O)CC(CO)(CO)[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 5/20 0.47
S1PR1 P21453 5/20 0.47
S1PR4 O95977 4/20 0.47
S1PR3 Q99500 4/20 0.47
S1PR5 Q9H228 2/20 0.47
SGPL1 O95470 1/20 0.47
GPR183 P32249 1/20 0.47
CERS2 Q96G23 1/20 0.47
S1PR2 O95136 3/20 0.43
KCNH2 Q12809 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL10042932 0.88 TNNC1 (0.44) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL903515 0.81 S1PR1 (0.61) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL15960544 0.79 TNNC1 (0.50) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL10037548 0.78 NPC1 (0.39) KDM4EALDH1A1LMNAHSD17B10ACHE
SCHEMBL5847049 0.78 S1PR1 (0.64) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL8499542 0.78 S1PR1 (0.64) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL27997928 0.77 TNNC1 (0.46) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL10036574 0.77 S1PR1 (0.56) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL5846363 0.77 TNNC1 (0.46) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL8495841 0.77 TNNC1 (0.46) TNNC1S1PR1S1PR4S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632889-B1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD MAPI PHARMA LTD (IL) 2018-08-29 EP disclosed
EP-2621886-B1 PROCESS FOR MAKING FINGOLIMOD SYNTHON BV (NL) 2018-05-02 EP disclosed
EP-3092222-B1 IMPROVED FINGOLIMOD PROCESS EMCURE PHARMACEUTICALS LTD (IN) 2018-02-14 EP disclosed
EP-3092222-A1 IMPROVED FINGOLIMOD PROCESS Emcure Pharmaceuticals Limited (IN) 2016-11-16 EP disclosed
US-9216943-B2 Preparation of fingolimod and its salts DR. REDDY'S LABORATORIES LTD. (IN) 2015-12-22 US disclosed
US-9216943-B2 Preparation of fingolimod and its salts DR. REDDY'S LABORATORIES LTD. (IN) 2015-12-22 US disclosed
WO-2015107548-A1 IMPROVED FINGOLIMOD PROCESS EMCURE PHARMACEUTICALS LIMITED (IN) 2015-07-23 WO disclosed
US-20140235895-A1 PREPARATION OF FINGOLIMOD AND ITS SALTS DR. REDDY'S LABORATORIES LTD. (IN) 2014-08-21 US disclosed
US-20140235895-A1 PREPARATION OF FINGOLIMOD AND ITS SALTS DR. REDDY'S LABORATORIES LTD. (IN) 2014-08-21 US disclosed
US-8735627-B2 Intermediate compounds and process for the preparation of fingolimod MAPI PHARMA LTD. (IL) 2014-05-27 US disclosed
WO-2012056458-A2 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD MAPI PHARMA LTD. (IL) 2012-05-03 WO disclosed
WO-2012056458-A2 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD MAPI PHARMA LTD. (IL) 2012-05-03 WO disclosed
WO-2012041359-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON B.V. (NL) 2012-04-05 WO disclosed
WO-2012041405-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON B.V. (NL) 2012-04-05 WO disclosed
WO-2012041405-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON B.V. (NL) 2012-04-05 WO disclosed
WO-2012041359-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON B.V. (NL) 2012-04-05 WO disclosed
WO-2012041707-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON BV (NL) 2012-04-05 WO disclosed
WO-2012041707-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON BV (NL) 2012-04-05 WO disclosed
CN-1310869-C 2-amido-2-[2-(4-alkylphenyl)ethyl]-1,3-methyl glycol preparation method JIANGSU WUZHONG PHARMACEUTICAL (CN) 2007-04-18 CN disclosed
CN-1765872-A 2-amido-2-[2-(4-alkylphenyl)ethyl]-1,3-methyl glycol preparation method JIANGSU WUZHONG PHARMACEUTICAL (CN) 2006-05-03 CN 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-20140235895-A1 PREPARATION OF FINGOLIMOD AND ITS SALTS S1PR4, S1PR2, S1PR1 TNNC1 4008/4885S1PR1 3/4885S1PR4 1/4885

“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.