SCHEMBL6347017

SCHEMBL6347017

CCC(C)OP(=O)(O)O.[N-]=[N+]=N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.36
LAP3 P28838 1/20 0.31
METAP1 P53582 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
SGPL1 O95470 4/20 0.30

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
SCHEMBL485995 0.87
Hydrochloric Acid SCHEMBL6047705 0.85 SMPD1 (0.42) SMPD1LAP3METAP1MMP1MMP2
SCHEMBL27505457 0.85 SMPD1 (0.42) SMPD1LAP3METAP1MMP1MMP2
SCHEMBL497286 0.73 LAP3 (0.39) SMPD1LAP3METAP1MMP1MMP2
SCHEMBL6980344 0.73
SCHEMBL19245350 0.72 TRPM8 (0.35) SMPD1LAP3METAP1MMP1MMP2
SCHEMBL16225024 0.72 SMPD1 (0.42) SMPD1LAP3METAP1MMP1MMP2
SCHEMBL2185946 0.72 LAP3 (0.37) SMPD1LAP3METAP1MMP1MMP2
SCHEMBL9259903 0.72
SCHEMBL777741 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838565-B2 Substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-04 US disclosed
US-20040138309-A1 Novel substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM (DE) 2004-07-15 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 (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-20040138309-A1 Novel substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions F11, F12, SERPINC1 SMPD1 2033/4885LAP3 1891/4885METAP1 912/4885

“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.