SCHEMBL2938526

SCHEMBL2938526

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
MMP7 P09237 1/20 0.52
MMP13 P45452 1/20 0.52
MGLL Q99685 2/20 0.51
GAA P10253 2/20 0.49
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
SLC1A3 P43003 1/20 0.47
ALDH1A1 P00352 4/20 0.46
ADAMTS4 O75173 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR2A P28223 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7310199 0.88 MGLL (0.50) MMP9MMP1MMP2MMP3MMP7
SCHEMBL4941753 0.88 MGLL (0.50) MMP9MMP1MMP2MMP3MMP7
SCHEMBL1053125 0.87 MGLL (0.53) MMP9MMP1MMP2MMP3MMP7
SCHEMBL2747979 0.87 MGLL (0.53) MMP9MMP1MMP2MMP3MMP7
SCHEMBL29935348 0.86 MGLL (0.57) MGLLGAABCL9CTNNB1ALDH1A1
SCHEMBL1059315 0.85 MGLL (0.54) MGLLGAABCL9CTNNB1SLC1A3
SCHEMBL1059313 0.85 MGLL (0.54) MMP9MMP1MMP2MMP3MMP7
SCHEMBL28744788 0.85 MGLL (0.45) MMP9MMP1MMP2MMP3MMP7
SCHEMBL1309027 0.84 GAA (0.50) MGLLGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL7257343 0.84 MGLL (0.57) MGLLGAABCL9CTNNB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
EP-2264032-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBVIE INC (US) 2013-08-07 EP disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
EP-2216334-B1 HIV protease inhibiting sulfonamides ABBOTT LAB (US) 2012-10-31 EP disclosed
EP-2264032-A2 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-12-22 EP disclosed
EP-2216334-A1 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-08-11 EP disclosed
EP-1709037-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LAB (US) 2009-12-23 EP 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-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP MMP9 32/4885MMP1 253/4885MMP2 19/4885

“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.