SCHEMBL3156572

SCHEMBL3156572

CCC(C(=O)O)C(CC(=O)O)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.33
MMP12 P39900 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
FOLH1 Q04609 1/20 0.32
CHRM1 P11229 2/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
CHRM2 P08172 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
SCHEMBL6036842 1.00 TDP1 (0.43) TDP1ALOX15SMN1; SMN2LMNATSHR
SCHEMBL3156577 1.00 TDP1 (0.43) TDP1ALOX15SMN1; SMN2LMNATSHR
Hydrochloric Acid SCHEMBL5018046 0.98 ALOX15 (0.42) TDP1ALOX15SMN1; SMN2LMNATSHR
SCHEMBL2778521 0.86 TDP1 (0.44) TDP1ALOX15SMN1; SMN2LMNAFOLH1
SCHEMBL1267517 0.80 TDP1 (0.39) TDP1
SCHEMBL1267516 0.80 TDP1 (0.39) TDP1
Hydrochloric Acid SCHEMBL3772779 0.79 TDP1 (0.38) TDP1
Hydrochloric Acid SCHEMBL5022797 0.79 TDP1 (0.38) TDP1
SCHEMBL3157793 0.74 TDP1 (0.40) TDP1SMN1; SMN2FOLH1
SCHEMBL3157798 0.74 TDP1 (0.40) TDP1SMN1; SMN2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7692034-B2 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) 2010-04-06 US disclosed
EP-2161250-A1 Process for the preparatiom of 7-amino-syn-3,5-dihydroxy heptanoic acid derivatives, intermediates thereof and methods for their preparation BASF SE (DE) 2010-03-10 EP disclosed
EP-1404642-B1 Process for the preparatiom of 7-amino syn 3,5-dihydroxy heptanoic acid derivatives, intermediates thereof and methods for their preparation BASF SE (DE) 2010-02-17 EP disclosed
US-20080312466-A1 Synthesis and intermediates OHRLEIN REINHOLD 2008-12-18 US disclosed
US-7420078-B2 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. (US) 2008-09-02 US disclosed
US-20070142662-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. 2007-06-21 US disclosed
US-7199261-B2 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) 2007-04-03 US disclosed
US-20050033086-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 BASF SE (DE) 2005-02-10 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-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-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
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

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-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 TDP1 2780/4885ALOX15 85/4885SMN1; SMN2 4767/4885
US-20080312466-A1 Synthesis and intermediates HMGCR, SREBF1, COASY TDP1 2328/4885ALOX15 260/4885SMN1; SMN2 4521/4885
US-20070142662-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 HMGCR, DHCR7, HCAR3 TDP1 1538/4885ALOX15 172/4885SMN1; SMN2 2523/4885
US-20050033086-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 HMGCR, DHCR7, HCAR3 TDP1 1538/4885ALOX15 172/4885SMN1; SMN2 2523/4885

“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.