SCHEMBL4968427

SCHEMBL4968427

Cc1cc(C)c(O)c(NC(=O)[C@H](Br)C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.38
HSD17B2 P37059 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PYGL P06737 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33

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
SCHEMBL4971218 1.00 GAA (0.41) GAAHTTALDH1A1HSD17B2LMNA
SCHEMBL4968432 1.00 GAA (0.41) GAAHTTALDH1A1HSD17B2LMNA
SCHEMBL4969873 0.87 GAA (0.43) GAAALDH1A1HSD17B2LMNAPOLB
SCHEMBL4968591 0.85 HTT (0.39) GAAHTTALDH1A1LMNAPOLB
SCHEMBL4970600 0.85 HTT (0.39) GAAHTTALDH1A1LMNAPOLB
SCHEMBL4967536 0.85 HTT (0.39) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL4969103 0.85 HTT (0.39) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL4970144 0.84 HTT (0.38) GAAHTTALDH1A1LMNAMEN1
SCHEMBL4970638 0.80 GAA (0.43) GAAHTTALDH1A1HSD17B2LMNA
SCHEMBL4971171 0.78 GAA (0.57) GAAHTTPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 GAA 783/4885HTT 772/4885ALDH1A1 142/4885

“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.