SCHEMBL8291391

SCHEMBL8291391

COc1ccc(-c2nc(C)sc2CC(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.76
KMT2A Q03164 1/20 0.76
PTGDR2 Q9Y5Y4 15/20 0.76
LMNA P02545 1/20 0.70
MAPT P10636 1/20 0.70
POLB P06746 1/20 0.67
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL11857630 0.85 PTGDR2 (0.74) MEN1KMT2APTGDR2MAPT
SCHEMBL5544242 0.84 PTGDR2 (0.76) MEN1KMT2APTGDR2LMNAMAPT
SCHEMBL8292005 0.83 PTGDR2 (0.74) MEN1KMT2APTGDR2LMNAMAPT
SCHEMBL5820072 0.83 PTGDR2 (1.00) MEN1KMT2APTGDR2LMNAMAPT
SCHEMBL2818129 0.81 PTGDR2 (1.00) MEN1KMT2APTGDR2POLBALDH1A1
SCHEMBL1398615 0.80 ALDH1A1 (0.62) MEN1KMT2APTGDR2LMNAMAPT
SCHEMBL5055133 0.79 PTGDR2 (1.00) PTGDR2
SCHEMBL2756231 0.77 ALDH1A1 (0.59) MEN1KMT2APTGDR2LMNAMAPT
SCHEMBL19626502 0.77 PTGDR2 (0.73) MEN1KMT2APTGDR2LMNAMAPT
SCHEMBL13116341 0.76 PTGDR2 (0.80) PTGDR2POLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037257-A2 NOVEL ALANYL-AMINO PEPTIDASE INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 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 (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-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP MEN1 2581/4885KMT2A 3390/4885PTGDR2 3598/4885

“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.