SCHEMBL903628

SCHEMBL903628

CCCCCCCCc1ccc(CCC(NC(C)=O)(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.68
MEN1 O00255 1/20 0.68
MAPT P10636 1/20 0.68
KMT2A Q03164 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
HTT P42858 1/20 0.61
THRB P10828 3/20 0.58
PKM P14618 2/20 0.58
ALDH1A1 P00352 1/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 1/20 0.49
TNNC1 P63316 5/20 0.48
S1PR1 P21453 3/20 0.48
S1PR4 O95977 2/20 0.48
S1PR3 Q99500 2/20 0.48
SGPL1 O95470 1/20 0.48
GPR183 P32249 1/20 0.48
CERS2 Q96G23 1/20 0.48
S1PR5 Q9H228 1/20 0.48
PPARG P37231 1/20 0.46

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
SCHEMBL8538203 1.00 ATM (0.68) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL12949944 0.96 ATM (0.64) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL8533964 0.95 ATM (0.77) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL12949880 0.94 ATM (0.60) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL16919227 0.92 ATM (0.57) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL8538518 0.91 ALDH1A1 (0.66) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL8534491 0.91 ATM (0.70) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL14722412 0.90 HTT (0.58) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL17427770 0.89 PKM (0.60) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL8538236 0.89 ATM (0.61) ATMMEN1MAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964210-B1 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF BIOCON LTD (IN) 2023-10-04 EP claimed
US-9815772-B2 Process for the preparation of 2-amino-1,3-propane diol compounds and salts thereof BIOCON LIMITED (IN) 2017-11-14 US claimed
US-20160009634-A1 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF BIOCON LIMITED (IN) 2016-01-14 US claimed
EP-2964210-A2 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF Biocon Limited (IN) 2016-01-13 EP claimed
WO-2014136047-A2 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF BIOCON LIMITED (IN) 2014-09-12 WO claimed
EP-2964210-B1 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF BIOCON LTD (IN) 2023-10-04 EP disclosed
EP-2896609-B1 Crystalline fingolimod citrate for the treatment of relapsing-remitting multiple sclerosis RATIOPHARM GMBH (DE) 2018-06-27 EP disclosed
US-9815772-B2 Process for the preparation of 2-amino-1,3-propane diol compounds and salts thereof BIOCON LIMITED (IN) 2017-11-14 US disclosed
US-9815772-B2 Process for the preparation of 2-amino-1,3-propane diol compounds and salts thereof BIOCON LIMITED (IN) 2017-11-14 US disclosed
EP-2807143-B1 PROCESS FOR PREPARATION OF FINGOLIMOD GLENMARK GENERICS LTD (IN) 2017-08-30 EP disclosed
EP-1457478-B1 Production of 2-amino-2-[2-(4-alkyl-phenyl)ethyl]propane-1,3-diols NOVARTIS AG (CH) 2017-07-19 EP disclosed
US-9643914-B2 Fingolimod hydrochloride process EMCURE PHARMACEUTICALS LIMITED (IN) 2017-05-09 US disclosed
EP-0778263-B1 BENZENE COMPOUND AND MEDICINAL USE THEREOF WELFIDE CORP (JP) 2002-01-09 EP disclosed
EP-1129066-A1 PRODUCTION OF 2-AMINO-2- 2-(4-C 2-20?-ALKYL-PHENYL)ETHYL]PROPANE-1,3-DIOLS Novartis AG (CH) 2001-09-05 EP disclosed
US-6187821-B1 SUCH AS 2-AMINO-2-(3-(4-HEPTYLPHENYL)PROPYL)BUTANE-1,4-DIOL; IMMUNOSUPPRESSANT; ADMINISTERING TO TREAT OR PREVENT AUTOIMMUNE DISEASES AND ALLERGIES WELFIDE CORPORATION (JP) 2001-02-13 US disclosed
WO-2000027798-A1 PRODUCTION OF 2-AMINO-2-[2-(4-C2-20-ALKYL-PHENYL)ETHYL]PROPANE-1,3-DIOLS NOVARTIS AG (CH) 2000-05-18 WO disclosed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
EP-0778263-A1 BENZENE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-11 EP 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 (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-20160009634-A1 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF ADH1C, DRD2, ADH1A ATM 1912/4885MEN1 2875/4885MAPT 2819/4885

“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.