SCHEMBL15569712

SCHEMBL15569712

CC(=O)c1cccc(C(C)(C)NC(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 3/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.47
KIF11 P52732 1/20 0.47

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
SCHEMBL2512343 0.87 L3MBTL1 (0.65) LMNAMAPTL3MBTL1HTTTSHR
Ethylene SCHEMBL27874359 0.86 L3MBTL1 (0.64) LMNAMAPTL3MBTL1HTTTSHR
SCHEMBL10915368 0.86 GAA (0.57) LMNAMAPTL3MBTL1HTTTSHR
Carbamic Acid SCHEMBL28548246 0.83 L3MBTL1 (0.61) LMNAMAPTL3MBTL1HTTTSHR
SCHEMBL15630854 0.81 LMNA (0.51) LMNAMAPTL3MBTL1HTTTSHR
SCHEMBL2607715 0.80 HPGD (0.50) LMNAMAPTL3MBTL1HTTMEN1
SCHEMBL2607667 0.80 LMNA (0.66) LMNAMAPTHTTTSHRMEN1
SCHEMBL2607504 0.80 MAPT (0.73) LMNAMAPTL3MBTL1TSHRMEN1
SCHEMBL6179163 0.79 GAA (0.47) LMNAMAPTL3MBTL1HTTTSHR
SCHEMBL2607714 0.79 CYP1A2 (0.48) LMNAMAPTL3MBTL1HTTMEN1

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
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 US disclosed
WO-2014028931-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2014-02-20 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-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 LMNA 4240/4885MAPT 3597/4885L3MBTL1 2514/4885

“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.