SCHEMBL1428501

SCHEMBL1428501

CCC(CC)C(=O)NOC(=O)CC(=O)ONC(=O)C(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
USP2 O75604 1/20 0.48
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 3/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
MEN1 O00255 2/20 0.35
RAB9A P51151 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34

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
SCHEMBL1428502 0.90 TSHR (0.43) TSHRUSP2CA1CA2HTT
SCHEMBL27500430 0.89 TSHR (0.46) TSHRUSP2CA1CA2HTT
SCHEMBL8526941 0.77 PPID (0.39) TSHRCA1CA2HTTNPSR1
SCHEMBL9849330 0.76 MGAM (0.35) TSHRMGAMGAASIMGAM2
SCHEMBL9639529 0.76 TSHR (0.52) TSHRUSP2CA1CA2HTT
SCHEMBL23881998 0.75 CA2 (0.61) TSHRUSP2CA1CA2LMNA
SCHEMBL29063420 0.73 CA2 (0.53) USP2CA1CA2CA7CA14
SCHEMBL29062790 0.73 CA2 (0.53) USP2CA1CA2CA7CA14
SCHEMBL8602000 0.72 CA2 (0.56) TSHRUSP2CA1CA2LMNA
SCHEMBL8174142 0.70

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 71 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
US-20120122819-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA - SCIENCES ET GENIE S.E.C. (CA) 2012-05-17 US claimed
EP-2440533-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS Socpra-Sciences Et Génie S.E.C. (CA) 2012-04-18 EP claimed
WO-2010142027-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA - SCIENCES ET GENIE S. E. C. (CA) 2010-12-16 WO claimed
US-5670699-A Process for preparing amino acid esters useful as intermediates for compounds containing a fused bicyclic ring BRISTOL-MYERS SQUIBB CO. (US) 1997-09-23 US claimed
EP-0629627-A2 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-21 EP 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
US-9993491-B2 Guanine riboswitch binding compounds and their use as antibiotics SOCPRA—SCIENCES ET GÉNIE S.E.C. (CA) 2018-06-12 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
US-9522893-B2 Therapeutic methods and compounds AMPIO PHARMACEUTICALS, INC. (US) 2016-12-20 US disclosed
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 disclosed
US-4347365-A ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1982-08-31 US disclosed
US-4347364-A INTERMEDIATES THEREFOR HOFFMANN-LA ROCHE INC. (US) 1982-08-31 US disclosed
US-4307237-A ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1981-12-22 US disclosed
US-4280957-A Imidazodiazepines and processes therefor HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US disclosed
EP-0022288-A2 Method of sterilizing male anthers in plants, compositions and compounds suitable for use in such a method, and method of producing F1 hybrid seed SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-01-14 EP disclosed
US-4216008-A Butenoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1980-08-05 US 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-20160009634-A1 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF ADH1C, DRD2, ADH1A TSHR 4699/4885USP2 1415/4885CA1 3428/4885
US-20120122819-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS GDA, RNMT, GNPDA1 TSHR 999/4885USP2 1505/4885CA1 4763/4885

“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.