SCHEMBL16079948

SCHEMBL16079948

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ACE P12821 3/20 0.47
PPARG P37231 2/20 0.47
PPARA Q07869 1/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ITGA4 P13612 2/20 0.46
ITGB7 P26010 2/20 0.46
MME P08473 2/20 0.45
ACE2 Q9BYF1 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL16079946 0.86 KMT2A (0.46) CA2KMT2AMEN1ACENPC1
SCHEMBL22285567 0.85 CA2 (0.58) CA2KMT2AMEN1ACEPPARG
SCHEMBL22285568 0.85 CA2 (0.58) CA2KMT2AMEN1ACEPPARG
SCHEMBL9667156 0.84 CA2 (0.57) CA2KMT2AMEN1ACEPPARG
SCHEMBL18569386 0.83 CA2 (0.56) CA2KMT2AMEN1ACEPPARG
SCHEMBL16079947 0.83 KMT2A (0.42) CA2KMT2AMEN1ACEPPARG
SCHEMBL22921009 0.82 ACE (0.60) CA2ACEMMEACE2CPA1
SCHEMBL8406437 0.82 CA2 (0.60) CA2KMT2AMEN1ACEPPARG
SCHEMBL11208510 0.82 CA2 (0.60) CA2KMT2AMEN1ACEPPARG
SCHEMBL10604163 0.82 CA2 (0.60) CA2KMT2AMEN1ACEPPARG

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-9440963-B2 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS, INC. (US) 2016-09-13 US disclosed
US-9440963-B2 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS, INC. (US) 2016-09-13 US disclosed
US-20140275103-A1 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS INC. (US) 2014-09-18 US disclosed
US-20140275103-A1 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS INC. (US) 2014-09-18 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-20140275103-A1 Compositions, formulations and methods for treating ocular diseases TIE1, TEK, KDR CA2 2507/4885KMT2A 1502/4885MEN1 875/4885

“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.