SCHEMBL3898096

SCHEMBL3898096

CC(=O)c1cc(S(C)(=O)=O)cc(C(=O)O)c1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS2 P35354 1/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
TBXA2R P21731 2/20 0.34
PTGDR Q13258 2/20 0.34
PTGER2 P43116 1/20 0.34

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
SCHEMBL27263689 0.92 LMNA (0.56) LMNAALDH1A1MAPK1KDM4EMEN1
SCHEMBL26857514 0.83 LMNA (0.40) LMNAALDH1A1MAPK1PTGS2SMN1; SMN2
SCHEMBL27719001 0.80 LMNA (0.49) LMNAALDH1A1MAPK1KDM4EMEN1
SCHEMBL2574501 0.80 LMNA (0.49) LMNAALDH1A1MAPK1KDM4EMEN1
SCHEMBL21184203 0.78 LMNA (0.64) LMNAALDH1A1MAPK1KDM4EPTGS2
SCHEMBL27468745 0.76 TPMT (0.48) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL2917593 0.76 LCK (0.54) LMNAALDH1A1MAPK1KDM4EMEN1
SCHEMBL8358558 0.73 LMNA (0.45) LMNAALDH1A1MAPK1KDM4EMEN1
SCHEMBL11615862 0.72 SMN1; SMN2 (0.46) ALDH1A1MAPK1KDM4ETDP1HPGD
SCHEMBL15836210 0.72 LMNA (0.51) LMNAALDH1A1MAPK1KDM4ETDP1

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
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

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 LMNA 609/4885ALDH1A1 3847/4885MAPK1 829/4885

“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.