SCHEMBL30454910

SCHEMBL30454910

CC(C)(C)OC(=O)N[C@H](CI)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
ATM Q13315 1/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APP P05067 1/20 0.41

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
SCHEMBL14532784 0.89 LMNA (0.63) PPARGPPARAATMLMNAKMT2A
SCHEMBL6539801 0.89 LMNA (0.63) PPARGPPARAATMLMNAKMT2A
SCHEMBL7465229 0.89 LMNA (0.63) PPARGPPARAATMLMNAKMT2A
SCHEMBL13658641 0.88 PPARG (0.53) PPARGPPARAATMLMNAKMT2A
SCHEMBL2617240 0.87 PPARG (0.54) PPARGPPARAATMLMNAKMT2A
SCHEMBL2789840 0.87 PPARG (0.54) PPARGPPARAATMLMNAKMT2A
SCHEMBL2789835 0.87 PPARG (0.54) PPARGPPARAATMLMNAKMT2A
SCHEMBL17157150 0.86 PPARG (0.54) PPARGPPARAATMLMNAKMT2A
SCHEMBL20586743 0.86 PPARG (0.54) PPARGPPARAATMLMNAKMT2A
SCHEMBL12879876 0.86 PPARG (0.54) PPARGPPARAATMLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250049937-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC (US) 2025-02-13 US disclosed
EP-4453000-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF Adcentrx Therapeutics Inc. (US) 2024-10-30 EP disclosed
CN-118829645-A Novel auristatin analogues and immunoconjugates thereof 艾德森特克斯治疗股份有限公司 2024-10-22 CN disclosed
WO-2023122228-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2023-06-29 WO 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-20250049937-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF AURKC, AURKA, AURKB PPARG 3158/4885PPARA 3815/4885ATM 754/4885

“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.