SCHEMBL8499367

SCHEMBL8499367

CCCCCCCCc1ccccc1CCC(N)(CO)CO

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.67
S1PR3 Q99500 7/20 0.67
TNNC1 P63316 6/20 0.67
S1PR4 O95977 6/20 0.67
S1PR5 Q9H228 5/20 0.67
SGPL1 O95470 1/20 0.67
GPR183 P32249 1/20 0.67
CERS2 Q96G23 1/20 0.67
SPHK2 Q9NRA0 3/20 0.54
SPHK1 Q9NYA1 1/20 0.54
LIPG Q9Y5X9 1/20 0.51
S1PR2 O95136 4/20 0.51
ENPP2 Q13822 1/20 0.49

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
Hydrochloric Acid SCHEMBL6260040 0.98 S1PR1 (0.68) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL20814029 0.86 LIPG (0.50) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL16800252 0.82 LIPG (0.53) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL20813856 0.81 LIPG (0.51) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL29272511 0.81 LIPG (0.59) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL18904548 0.80 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL3390328 0.80 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL3392313 0.80 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5
Fingolimod SCHEMBL7445 0.80 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL3393539 0.80 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518733-B2 Process for preparation of highly pure Fingolimod hydrochloride SHIVALIK RASAYAN LIMITED (IN) 2022-12-06 US disclosed
EP-3074374-B1 FINGOLIMOD HYDROCHLORIDE PROCESS EMCURE PHARMACEUTICALS LTD (IN) 2019-03-13 EP disclosed
EP-2807143-B1 PROCESS FOR PREPARATION OF FINGOLIMOD GLENMARK GENERICS LTD (IN) 2017-08-30 EP disclosed
EP-3193870-A1 TREATMENT OF NEURODEGENERATIVE DISEASES WITH COMBINATION OF LAQUINIMOD AND FINGOLIMOD Teva Pharmaceutical Industries Ltd. (IL) 2017-07-26 EP disclosed
US-9643914-B2 Fingolimod hydrochloride process EMCURE PHARMACEUTICALS LIMITED (IN) 2017-05-09 US disclosed
US-9643914-B2 Fingolimod hydrochloride process EMCURE PHARMACEUTICALS LIMITED (IN) 2017-05-09 US disclosed
US-20160289166-A1 FINGOLIMOD HYDROCHLORIDE PROCESS EMCURE PHARMACEUTICALS LIMITED (IN) 2016-10-06 US disclosed
US-20160289166-A1 FINGOLIMOD HYDROCHLORIDE PROCESS EMCURE PHARMACEUTICALS LIMITED (IN) 2016-10-06 US disclosed
WO-2016044103-A1 TREATMENT OF NEURODEGENERATIVE DISEASES WITH COMBINATION OF LAQUINIMOD AND FINGOLIMOD TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2016-03-24 WO disclosed
WO-2015092809-A2 FINGOLIMOD HYDROCHLORIDE PROCESS EMCURE PHARMACEUTICALS LIMITED (IN) 2015-06-25 WO disclosed
US-9056813-B2 Process for preparation of fingolimod GLENMARK GENERICS LIMITED (IN) 2015-06-16 US disclosed
WO-2013111162-A2 PROCESS FOR PREPARATION OF FINGOLIMOD GLENMARK GENERICS LIMITED (IN) 2013-08-01 WO disclosed
US-5952316-A FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-14 US disclosed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 US disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 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 (2 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-11518733-B2 Process for preparation of highly pure Fingolimod hydrochloride S1PR5, S1PR4, S1PR1 S1PR1 3/4885S1PR3 4/4885TNNC1 4286/4885
US-20160289166-A1 FINGOLIMOD HYDROCHLORIDE PROCESS S1PR4, S1PR2, S1PR3 S1PR1 4/4885S1PR3 3/4885TNNC1 4627/4885

“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.