SCHEMBL6449604

SCHEMBL6449604

CC[C@H](C)[C@H](NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.52
ALDH1A1 P00352 6/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
KMT2A Q03164 2/20 0.47
HTR2A P28223 1/20 0.46
GAA P10253 2/20 0.44
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL1053125 0.89 MGLL (0.53) MGLLALDH1A1MAPTNPC1RAB9A
SCHEMBL2747979 0.89 MGLL (0.53) MGLLALDH1A1MAPTNPC1RAB9A
SCHEMBL4941753 0.87 MGLL (0.50) MGLLALDH1A1MAPTNPC1RAB9A
SCHEMBL7310199 0.87 MGLL (0.50) MGLLALDH1A1MAPTNPC1RAB9A
SCHEMBL10201893 0.86 MGLL (0.49) MGLLALDH1A1MAPTNPC1RAB9A
SCHEMBL16284648 0.84 ALDH1A1 (0.67) MGLLALDH1A1MAPTNPC1RAB9A
SCHEMBL22137002 0.84 ALDH1A1 (0.67) MGLLALDH1A1MAPTNPC1RAB9A
SCHEMBL26226843 0.84 ALDH1A1 (0.67) MGLLALDH1A1MAPTNPC1RAB9A
SCHEMBL10201890 0.84 MGLL (0.55) MGLLALDH1A1MAPTNPC1RAB9A
SCHEMBL7174053 0.83 MGLL (0.57) MGLLALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050131042-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 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-20050131042-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP MGLL 850/4885ALDH1A1 2920/4885MAPT 2176/4885

“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.