SCHEMBL734453

SCHEMBL734453

N#CCC(O[C]=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.41
TRPA1 O75762 1/20 0.35
TSHR P16473 1/20 0.35
GSR P00390 1/20 0.35
PNP P00491 1/20 0.35
CYP2D6 P10635 4/20 0.33
CYP1A2 P05177 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSS P25774 3/20 0.33
CTSK P43235 1/20 0.33
NOS2 P35228 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A2 P23975 3/20 0.32
CTSL P07711 2/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL28600272 0.77 PBRM1 (0.51) PBRM1TRPA1TSHRCYP2D6CYP1A2
SCHEMBL11480147 0.77 GSR (0.37) GSRCYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL27372 0.77 LMNA (0.42) GSRCYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL292595 0.76 PBRM1 (0.41) PBRM1TSHRGSRCYP2D6CYP1A2
SCHEMBL28529101 0.76 PBRM1 (0.41) PBRM1TRPA1TSHRGSRPNP
SCHEMBL292594 0.76 PBRM1 (0.41) PBRM1TSHRGSRCYP2D6CYP1A2
SCHEMBL1267601 0.76 PBRM1 (0.44) PBRM1TRPA1TSHRGSRPNP
SCHEMBL28393502 0.76 SLC6A4 (0.50) PBRM1TSHRCYP2D6CYP1A2SLC6A4
SCHEMBL4744355 0.76 EPHX1 (0.42) CYP1A2PKMSMN1; SMN2SLC6A4SLC6A2
SCHEMBL1432767 0.74 AOC3 (0.39) TSHRGSRCYP2D6CYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2955171-A1 MANUFACTURE PROCESS OF N-(5-CHLOROSALICYLOYL)-8-AMINOCAPRYLIC ACID Novartis AG (CH) 2015-12-16 EP disclosed
EP-1838664-B1 MANUFACTURE PROCESS OF N-SUBSTITUTED SALICYLAMIDES NOVARTIS AG (CH) 2015-07-15 EP disclosed
US-8461385-B2 Manufacture process of organic compounds NOVARTIS AG (CH) 2013-06-11 US disclosed
US-8314071-B2 Bioactive molecules from co-cultivation of microbes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-11-20 US disclosed
US-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 US disclosed
US-8026383-B2 Process for the preparation of intermediates useful in the synthesis of statin derivatives BASF SE (DE) 2011-09-27 US disclosed
US-20110046411-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES CIBA SPECIALTY CHEMICALS CORPORATION 2011-02-24 US disclosed
US-7855302-B2 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino-3.5-dihydroxyhepanoic acid derivatives and intermediates thereof CIBA SPECIALTY CHEMICALS CORP. (US) 2010-12-21 US disclosed
US-20100249051-A1 Bioactive Molecules from Co-Cultivation of Microbes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-09-30 US disclosed
US-7745438-B2 3-(2-acylamino-1-hydroxyethyl)-morpholine derivatives and their use as bace inhibitors ELI LILLY AND COMPANY (US) 2010-06-29 US disclosed
US-20040242916-A1 Process for preparation of 7-amino syn 3,5-dihydroxy heptanoic acid derivatives, intermediates thereof and methods for their preparation BASF SE (DE) 2004-12-02 US disclosed
US-20040186313-A1 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3 5-dihydroxy heptanoic acid derivatives, and intermediates thereof CIBA SPECIALTY CHEMICALS CORP. 2004-09-23 US disclosed
EP-1451179-A1 PYRROLE SYNTHESIS Ciba SC Holding AG (CH) 2004-09-01 EP disclosed
EP-1406860-A1 PROCESS FOR THE PREPARATION OF 7-AMINO SYN 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES VIA 6-CYANO SYN 3,5-DIHYDROXY HEXANOIC ACID DERIVATIVES Teva Pharmaceutical Industries Limited (IL) 2004-04-14 EP disclosed
EP-1404639-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES ESPECIALLY 7-AMINO 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, AND INTERMEDIATES THEREOF Ciba SC Holding AG (CH) 2004-04-07 EP disclosed
EP-1404642-A2 SYNTHESIS AND INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-04-07 EP disclosed
WO-2003044011-A1 PYRROLE SYNTHESIS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-30 WO disclosed
WO-2003004456-A1 PROCESS FOR THE PREPARATION OF 7-AMINO SYN 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES VIA 6-CYANO SYN 3,5-DIHYDROXY HEXANOIC ACID DERIVATIVES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-01-16 WO disclosed
WO-2003004455-A2 PROCESS FOR THE PREPARATION OF 7-AMINO SYN 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, INTERMEDIATES THEREOF AND METHODS FOR THEIR PREPARATION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-01-16 WO disclosed
WO-2003004450-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES ESPECIALLY 7-AMINO 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, AND INTERMEDIATES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-01-16 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 (4 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-20110046411-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES HMGCR, SREBF1, LCAT PBRM1 2273/4885TRPA1 4883/4885TSHR 3165/4885
US-20040186313-A1 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3 5-dihydroxy heptanoic acid derivatives, and intermediates thereof HMGCR, CYP46A1, CYP7A1 PBRM1 4222/4885TRPA1 4859/4885TSHR 4204/4885
US-20100249051-A1 Bioactive Molecules from Co-Cultivation of Microbes BMP4, BMP2, LSS PBRM1 2521/4885TRPA1 2371/4885TSHR 4540/4885
US-20040242916-A1 Process for preparation of 7-amino syn 3,5-dihydroxy heptanoic acid derivatives, intermediates thereof and methods for their preparation HMGCR, DHCR7, CYP8B1 PBRM1 4774/4885TRPA1 4879/4885TSHR 3525/4885

“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.