SCHEMBL7125932

SCHEMBL7125932

CCCCOC(=O)c1ccccc1OCCNC(=O)c1ccc2nc(CCc3nc4cc(O)ccc4[nH]3)n(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.39
TPSD1 Q9BZJ3 3/20 0.39
TPSG1 Q9NRR2 3/20 0.39
GAA P10253 1/20 0.38
THRB P10828 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL7071897 0.85 TPSAB1 (0.39) TPSAB1TPSD1TPSG1MAPTSMN1; SMN2
SCHEMBL7075013 0.81 TPSAB1 (0.38) TPSAB1TPSD1TPSG1HPGD
SCHEMBL7069767 0.79 TPSAB1 (0.37) TPSAB1TPSD1TPSG1GAAMAPT
SCHEMBL7068114 0.79 TPSAB1 (0.38) TPSAB1TPSD1TPSG1POLBHPGD
SCHEMBL7070029 0.78 TPSAB1 (0.38) TPSAB1TPSD1TPSG1MAPTALDH1A1
SCHEMBL7847240 0.78 POLB (0.40) TPSAB1TPSD1TPSG1GAATHRB
SCHEMBL7069757 0.77 MAPT (0.52) TPSAB1TPSD1TPSG1GAATHRB
SCHEMBL7075009 0.77 TPSAB1 (0.38) TPSAB1TPSD1TPSG1HPGD
SCHEMBL7072410 0.75 MAPT (0.43) TPSAB1TPSD1TPSG1GAAMAPT
SCHEMBL7072213 0.75 TPSAB1 (0.39) TPSAB1TPSD1TPSG1HPGD

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-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 TPSAB1 5/4885TPSD1 6/4885TPSG1 3/4885

“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.