SCHEMBL7864565

SCHEMBL7864565

CC(=O)c1cc(C(=O)O)cc(N(C)S(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 4/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
BACE1 P56817 4/20 0.35
LMNA P02545 3/20 0.35
USP2 O75604 2/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
TPMT P51580 1/20 0.35

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
SCHEMBL475723 0.93 LCK (0.45) LCKFYNKMT2AALDH1A1MEN1
SCHEMBL165562 0.82 KDM4E (0.51) KMT2AALDH1A1MEN1KDM4ENPSR1
SCHEMBL7868931 0.82 KDM4E (0.51) KMT2AALDH1A1MEN1KDM4ENPSR1
SCHEMBL3598487 0.81 ALDH1A1 (0.38) LCKFYNKMT2AALDH1A1MEN1
SCHEMBL5139418 0.79 UNG (0.41) LCKFYNKMT2AALDH1A1MEN1
SCHEMBL8155821 0.79 BACE1 (0.41) BACE1LMNATPMTSMN1; SMN2
SCHEMBL4751276 0.79 CA12 (0.38) LCKFYNKMT2AALDH1A1MEN1
SCHEMBL7863476 0.78 KMT2A (0.43) LCKFYNKMT2AALDH1A1MEN1
SCHEMBL3863169 0.77 RAB9A (0.38) LCKFYNKMT2AMEN1KDM4E
SCHEMBL11762568 0.77 TPMT (0.55) LCKFYNALDH1A1KDM4EAKR1C3

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-7476764-B2 Phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-13 US disclosed
US-7476764-B2 Phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-13 US disclosed
US-20070032470-A1 Novel phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-08 US disclosed
US-20070032470-A1 Novel phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-08 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-20070032470-A1 Novel phenylcarboxyamides as beta-secretase inhibitors BACE1, APP, BACE2 LCK 4154/4885FYN 633/4885KMT2A 2775/4885

“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.