SCHEMBL3177902

SCHEMBL3177902

CCCCC(C=O)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
CTSK P43235 6/20 0.40
ATM Q13315 2/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.35
FAAH O00519 2/20 0.35
CPB2 Q96IY4 1/20 0.35

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
SCHEMBL2491947 0.94 ZDHHC7 (0.42) TSHRSMN1; SMN2CA2CA1ZDHHC7
SCHEMBL3184670 0.92 ZDHHC7 (0.44) CA2ZDHHC7FAAHCPB2
SCHEMBL6154829 0.92 ZDHHC7 (0.44) CA2ZDHHC7FAAHCPB2
SCHEMBL6155156 0.92 ZDHHC7 (0.44) CA2ZDHHC7FAAHCPB2
SCHEMBL1516015 0.88 ALDH1A1 (0.39) TSHRCTSKCYP3A4TDP1ALDH1A1
SCHEMBL7297863 0.86 CA2 (0.42) TSHRCA2CA1ATMCYP3A4
SCHEMBL7297867 0.86 CA2 (0.42) TSHRCA2CA1ATMCYP3A4
SCHEMBL9860634 0.84 CA1 (0.55) TSHRSMN1; SMN2CA2CA1CTSK
SCHEMBL7909171 0.82 TSHR (0.45) TSHRCA2CA1ATMCYP3A4
SCHEMBL28944403 0.81 CA2 (0.39) TSHRCA2CA1ATMCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1377266-A Pyruvate ester composition and method of use for resuscitation after events of ischemia and reperfusion MASSTRACE INC (CA) 2002-10-30 CN claimed
US-7666659-B2 Process for producing optically active 3-hydroxypropionic ester derivative KANEKA CORPORATION (JP) 2010-02-23 US disclosed
US-20100016627-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE KANEKA CORPORATION (JP) 2010-01-21 US disclosed
US-7323448-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
US-7323448-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
JP-2006280207-A NEW CARBONYL REDUCTASE, GENE THEREOF AND METHOD FOR UTILIZING THE SAME KANEKA CORP 2006-10-19 JP disclosed
US-20060166342-A1 Process for producing optically active 3-hydroxypropionic ester derivative KANEKA CORPORATION (JP) 2006-07-27 US disclosed
EP-1568679-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE KANEKA CORPORATION (JP) 2005-08-31 EP disclosed
WO-2005053610-A2 DIAMINE AND IMINODIACETIC ACID HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-06-16 WO disclosed
EP-0752989-B1 THIAZOLYLPYRAZOLINONES AND THEIR USE FOR PROTECTING TECHNICAL MATERIALS BAYER AG (DE) 2000-07-19 EP disclosed
EP-0515934-B1 Microbial application of 1-thiocarbamoyl-5-hydroxy-pyrazoles, 1-thiocarbamoyl-5-hydroxy pyrazoles and process for their fabrication BAYER AG (DE) 1998-09-09 EP disclosed
US-5703103-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
US-5672617-A Medicaments containing 1-thiocarbamoyl-5-hydroxy-pyrazoles and their use as agents for combating septic shock BAYER AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed
EP-0752989-A1 THIAZOLYLPYRAZOLINONES AND THEIR USE FOR PROTECTING TECHNICAL MATERIALS BAYER AG (DE) 1997-01-15 EP disclosed
US-5510365-A SUPPRESSION OF TUMOR NECROSIS FACTOR (TNFALPHA) ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
US-5502069-A FUNGICIDES IN PAINTS OR BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
WO-1995026962-A1 THIAZOLYLPYRAZOLINONES AND THEIR USE FOR PROTECTING TECHNICAL MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1995-10-12 WO disclosed
EP-0638556-A1 Medicaments containing 1-Thiocarbamoyl-5-hydroxy pyrazoles and their use as agents for the treatment of septic shock BAYER AG (DE) 1995-02-15 EP disclosed
EP-0515934-A1 Microbial application of 1-thiocarbamoyl-5-hydroxy-pyrazoles, 1-thiocarbamoyl-5-hydroxy pyrazoles and process for their fabrication BAYER AG (DE) 1992-12-02 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-20100016627-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE HPD, GRHPR, PAH TSHR 2517/4885SMN1; SMN2 4373/4885CA2 462/4885

“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.