SCHEMBL2289618

SCHEMBL2289618

C=CCOC(=O)C(CCCCC(=O)OCC)(Cc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
CYP4Z1 Q86W10 2/20 0.34
LTA4H P09960 2/20 0.34
PTPRB P23467 2/20 0.32
PTPN1 P18031 1/20 0.32
ACP1 P24666 1/20 0.32
CYP4F11 Q9HBI6 1/20 0.32
CYP4F12 Q9HCS2 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP14 P54578 1/20 0.32
CYP4F2 P78329 2/20 0.32

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
SCHEMBL2291678 0.95 TSHR (0.39) TSHRCYP4Z1LTA4HPTPRBPTPN1
SCHEMBL8233563 0.91 TSHR (0.36) TSHRCYP4Z1LTA4HPTPRBPTPN1
SCHEMBL2289975 0.91 CYP4Z1 (0.37) TSHRCYP4Z1LTA4HCYP4F11CYP4F12
SCHEMBL2295671 0.88 CYP4Z1 (0.39) TSHRCYP4Z1LTA4HCYP4F11CYP4F12
SCHEMBL8239507 0.85 CYP4Z1 (0.37) TSHRCYP4Z1LTA4HCYP4F11CYP4F12
SCHEMBL8234864 0.82 CYP4Z1 (0.39) TSHRCYP4Z1LTA4HCYP4F11CYP4F12
SCHEMBL4547669 0.76 TSHR (0.41) TSHRCYP4Z1PTPRBPTPN1CYP4F11
SCHEMBL2675498 0.74 TSHR (0.33) TSHR
SCHEMBL2294364 0.71 PTPRB (0.40) TSHRPTPRBMAPTKDM4ECYP4F2
SCHEMBL2289320 0.71 PTPRB (0.40) TSHRPTPRBMAPTKDM4ECYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183271-B2 Tetrazole derivatives and their use for the treatment of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-27 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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 TSHR 4287/4885CYP4Z1 1244/4885LTA4H 1708/4885
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases TNNI3, TNNT2, FABP3 TSHR 1342/4885CYP4Z1 359/4885LTA4H 1798/4885

“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.