SCHEMBL903515

SCHEMBL903515

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.61
S1PR4 O95977 7/20 0.61
S1PR3 Q99500 7/20 0.61
TNNC1 P63316 5/20 0.61
S1PR5 Q9H228 5/20 0.61
SGPL1 O95470 1/20 0.61
GPR183 P32249 1/20 0.61
CERS2 Q96G23 1/20 0.61
SPHK2 Q9NRA0 3/20 0.52
S1PR2 O95136 5/20 0.50
SPHK1 Q9NYA1 1/20 0.50
ENPP2 Q13822 1/20 0.49
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL10036574 0.92 S1PR1 (0.56) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL15190569 0.86 THRA (0.50) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL15960550 0.83 LIPG (0.45) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL1687901 0.81 TSHR (0.40) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL901600 0.81 TNNC1 (0.47) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL2723128 0.80 TNNC1 (0.50) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL2726354 0.80 S1PR1 (0.51) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL8496007 0.79 TNNC1 (0.50) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL1170931 0.79 ALDH1A1 (0.43) ALDH1A1
SCHEMBL1170888 0.79 ALDH1A1 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004747-A Synthesis method of fingolimod hydrochloride 杭州科耀医药科技有限公司 2025-05-16 CN claimed
CN-120004747-A Synthesis method of fingolimod hydrochloride 杭州科耀医药科技有限公司 2025-05-16 CN disclosed
EP-2632889-B1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD MAPI PHARMA LTD (IL) 2018-08-29 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
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
CN-104292115-A New synthetic method of fingolimod hydrochloride UNIV YANTAI 2015-01-21 CN disclosed
US-8735627-B2 Intermediate compounds and process for the preparation of fingolimod MAPI PHARMA LTD. (IL) 2014-05-27 US disclosed
EP-2702034-A2 PREPARATION OF FINGOLIMOD AND ITS SALTS Dr. Reddy's Laboratories Ltd. (IN) 2014-03-05 EP disclosed
EP-2632889-A2 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD Mapi Pharma Limited (IL) 2013-09-04 EP disclosed
US-20130217899-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD MAPI PHARMA LTD. (IL) 2013-08-22 US disclosed
US-20130217899-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD MAPI PHARMA LTD. (IL) 2013-08-22 US disclosed
WO-2012146980-A2 PREPARATION OF FINGOLIMOD AND ITS SALTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-11-01 WO disclosed
WO-2012056458-A2 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD MAPI PHARMA LTD. (IL) 2012-05-03 WO disclosed
WO-2012041707-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON BV (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

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 S1PR1 4/4885S1PR4 2/4885S1PR3 3/4885

“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.