SCHEMBL3558360

SCHEMBL3558360

CC(C)(C)OC(=O)NNCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
ALOX5 P09917 1/20 0.48
GAA P10253 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.43
NR1D1 P20393 1/20 0.43
IDO1 P14902 1/20 0.43
MAOB P27338 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL372131 0.86 PPARG (0.51) PPARGPPARAGAAMMP1MMP2
SCHEMBL27477064 0.84 ALOX5 (0.59) ALOX5ALDH1A1MAPTMAOBNPC1
SCHEMBL6046651 0.83 ALDH1A1 (0.53) PPARGPPARAALOX5GAAMMP1
SCHEMBL27262445 0.82 PPARG (0.48) PPARGPPARAGAAMMP1MMP2
SCHEMBL18664385 0.82 HDAC1 (0.49) PPARGPPARAGAAMMP1MMP2
SCHEMBL6445761 0.82 ESRRG (0.55) GAA
SCHEMBL974542 0.81 PPARG (0.47) PPARGPPARAALOX5MMP1MMP2
SCHEMBL6236607 0.81 GAA (0.51) PPARGPPARAGAAALDH1A1MAPK1
SCHEMBL9971059 0.81 GAA (0.51) GAAALDH1A1MAPTLMNANPC1
SCHEMBL13456452 0.80 CA2 (0.49) PPARGPPARAGAAMMP1MMP2

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
EP-1697348-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-12-28 EP disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 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-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP PPARG 4686/4885PPARA 4628/4885ALOX5 1718/4885

“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.