SCHEMBL5756960

SCHEMBL5756960

COC(=O)[C@](C)(CC(=O)O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.37
NPSR1 Q6W5P4 2/20 0.36
EPHX1 P07099 1/20 0.35
CHRM1 P11229 6/20 0.35
CHRM2 P08172 5/20 0.35
CHRM4 P08173 5/20 0.35
CHRM3 P20309 5/20 0.35
HMGCR P04035 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
SSTR4 P31391 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL27817261 1.00 EPHX2 (0.37) EPHX2NPSR1EPHX1CHRM1CHRM2
SCHEMBL27817260 1.00 EPHX2 (0.37) EPHX2NPSR1EPHX1CHRM1CHRM2
SCHEMBL28107685 0.83 CYP2D6 (0.41) EPHX2NPSR1EPHX1CHRM1CHRM2
SCHEMBL1999867 0.80 EPHX2 (0.38) EPHX2NPSR1EPHX1CHRM1CHRM2
SCHEMBL27988219 0.79 SSTR4 (0.37) EPHX2NPSR1EPHX1CHRM1CHRM2
Cyclobutoic Acid SCHEMBL2109852 0.75 CHRM1 (0.46) EPHX2NPSR1EPHX1CHRM1CHRM2
SCHEMBL10408343 0.75 ALDH1A1 (0.44) EPHX1CHRM1CHRM2CHRM4CHRM3
SCHEMBL4956011 0.72 EPHX1 (0.41) EPHX2NPSR1EPHX1SSTR4SMN1; SMN2
SCHEMBL29122830 0.72 EPHX1 (0.41) EPHX2NPSR1EPHX1SSTR4SMN1; SMN2
SCHEMBL16732092 0.72 EPHX1 (0.41) EPHX2NPSR1EPHX1CHRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204652-B1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-05-17 EP disclosed
US-6649642-B2 Useful in the treatment of autoimmune and other cathepsin related diseases. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-11-18 US disclosed
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-08 US disclosed
EP-1204652-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-15 EP disclosed
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors BEKKALI YOUNES (US) 2001-11-15 US disclosed
US-6313117-B1 TREATING AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-06 US disclosed
WO-2001009110-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-08 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 (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-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors SDHA, LONP1, SUCNR1 EPHX2 2616/4885NPSR1 2375/4885EPHX1 1542/4885
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS SDHA, LONP1, SUCNR1 EPHX2 2616/4885NPSR1 2375/4885EPHX1 1542/4885

“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.