SCHEMBL8292005

SCHEMBL8292005

Cc1nc(-c2ccc(Br)cc2)c(CC(=O)O)s1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.74
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
MAPT P10636 3/20 0.62
LMNA P02545 1/20 0.62
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 4/20 0.60
POLB P06746 2/20 0.60
GAA P10253 2/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL5544242 0.86 PTGDR2 (0.76) PTGDR2MEN1KMT2AMAPTLMNA
SCHEMBL5820072 0.85 PTGDR2 (1.00) PTGDR2MEN1KMT2AMAPTLMNA
SCHEMBL8291391 0.83 MEN1 (0.76) PTGDR2MEN1KMT2AMAPTLMNA
SCHEMBL19626502 0.79 PTGDR2 (0.73) PTGDR2MEN1KMT2AMAPTLMNA
SCHEMBL17670783 0.72 PTGS2 (0.45) PTGDR2MEN1KMT2AGAACYP1A2
SCHEMBL17188772 0.72 PTGS2 (0.53) PTGDR2MEN1KMT2AMAPTKDM4E
SCHEMBL4497493 0.72 PTGDR2 (1.00) PTGDR2KMT2AMAPTKDM4EALDH1A1
SCHEMBL13997494 0.71 TRPM8 (0.62) PTGDR2MEN1KMT2AMAPTLMNA
SCHEMBL14495011 0.70 PTGDR2 (0.78) PTGDR2MEN1KMT2AMAPTKDM4E
SCHEMBL873381 0.70 PTGDR2 (0.53) PTGDR2MEN1KMT2AMAPTLMNA

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 PTGDR2 3598/4885MEN1 2581/4885KMT2A 3390/4885

“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.