SCHEMBL5035826

SCHEMBL5035826

CC(=O)NC(CCc1ccccc1)(COC(C)=O)COC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
RECQL P46063 1/20 0.46
THRB P10828 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
SSTR4 P31391 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 1/20 0.38
MMP8 P22894 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL5035787 1.00 ALDH1A1 (0.47) ALDH1A1RECQLTHRBTAAR1NPC1
SCHEMBL5399646 0.92 MMP12 (0.44) ALDH1A1RECQLTHRBTAAR1
SCHEMBL7617220 0.92 ALDH1A1 (0.43) ALDH1A1RECQLTHRBTAAR1NPC1
SCHEMBL7622507 0.92 ALDH1A1 (0.45) ALDH1A1RECQLTHRBTAAR1NPC1
SCHEMBL8499772 0.89 ALDH1A1 (0.43) ALDH1A1RECQLTHRBTAAR1NPC1
SCHEMBL8499575 0.89 ALDH1A1 (0.43) ALDH1A1RECQLTHRBTAAR1NPC1
SCHEMBL8496246 0.89 ALDH1A1 (0.43) ALDH1A1RECQLTHRBTAAR1NPC1
SCHEMBL8500326 0.89 FFAR1 (0.50) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7713882 0.87 ALDH1A1 (0.46) ALDH1A1RECQLTHRBTAAR1NPC1
SCHEMBL19592164 0.87 S1PR1 (0.39) ALDH1A1RECQLTHRBTAAR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153684-A1 PROCESS FOR PREPARATION OF FINGOLIMOD HYDROCHLORIDE SHIVALIK RASAYAN LIMITED (IN) 2022-05-19 US claimed
US-20150344409-A1 PROCESS FOR THE PREPARATION OF FINGOLIMOD AND ITS SALTS SHILPA MEDICARE LIMITED (IN) 2015-12-03 US claimed
US-20220153684-A1 PROCESS FOR PREPARATION OF FINGOLIMOD HYDROCHLORIDE SHIVALIK RASAYAN LIMITED (IN) 2022-05-19 US disclosed
US-20220153684-A1 PROCESS FOR PREPARATION OF FINGOLIMOD HYDROCHLORIDE SHIVALIK RASAYAN LIMITED (IN) 2022-05-19 US disclosed
US-20220153684-A1 PROCESS FOR PREPARATION OF FINGOLIMOD HYDROCHLORIDE SHIVALIK RASAYAN LIMITED (IN) 2022-05-19 US disclosed
US-9732030-B2 Process for the preparation of fingolimod and its salts SHILPA MEDICARE LIMITED (IN) 2017-08-15 US disclosed
US-9732030-B2 Process for the preparation of fingolimod and its salts SHILPA MEDICARE LIMITED (IN) 2017-08-15 US disclosed
US-20150344409-A1 PROCESS FOR THE PREPARATION OF FINGOLIMOD AND ITS SALTS SHILPA MEDICARE LIMITED (IN) 2015-12-03 US disclosed
US-20150344409-A1 PROCESS FOR THE PREPARATION OF FINGOLIMOD AND ITS SALTS SHILPA MEDICARE LIMITED (IN) 2015-12-03 US disclosed
EP-2945927-A1 PROCESS FOR PREPARATION OF FINGOLIMOD AND ITS SALTS Shilpa Medicare Limited (IN) 2015-11-25 EP disclosed
WO-2014111836-A1 PROCESS FOR PREPARATION OF FINGOLIMOD AND ITS SALTS SHILPA MEDICARE LIMITED (IN) 2014-07-24 WO disclosed
EP-1319651-A2 2-Aminopropane-1,3-diol compound, pharmaceutical use thereof and synthetic intermediates therefor Mitsubishi Pharma Corporation (JP) 2003-06-18 EP disclosed
US-6214873-B1 PREVENTION OR SUPPRESION OF REJECTION OF ORGANS OR BONE MARROW TRANSPLANTATION; TREATMENT OF AUTOIMMUNE DISEASES OR ALLERGIC DISEASES; DECREASE IN TOXICITY AND HIGHER SAFETY WELFIDE CORPORATION (JP) 2001-04-10 US disclosed
CN-1259117-A 2-aminopropane-1, 3-diol compound, use thereof as medicine and synthetic intermediate thereof YOSHITOMI PHARMACEUTICAL (JP) 2000-07-05 CN disclosed
EP-1002792-A1 2-AMINOPROPANE-1,3-DIOL COMPOUNDS, MEDICINAL USE THEREOF, AND INTERMEDIATES IN SYNTHESIZING THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-05-24 EP 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-20220153684-A1 PROCESS FOR PREPARATION OF FINGOLIMOD HYDROCHLORIDE S1PR2, S1PR4, S1PR5 ALDH1A1 1249/4885RECQL 4797/4885THRB 2451/4885
US-20150344409-A1 PROCESS FOR THE PREPARATION OF FINGOLIMOD AND ITS SALTS S1PR4, S1PR1, S1PR5 ALDH1A1 2418/4885RECQL 4330/4885THRB 1347/4885

“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.