SCHEMBL4454280

SCHEMBL4454280

CNC(=O)C(NC(=O)c1cc(S(C)(=O)=O)ccc1C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.49
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KCNQ5 Q9NR82 2/20 0.40
KCNQ4 P56696 1/20 0.40
MMP1 P03956 3/20 0.40
MMP3 P08254 3/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP14 P50281 2/20 0.40
POLB P06746 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL4452983 0.87 LMNA (0.52) TACR3ALDH1A1GAALMNAMAPT
SCHEMBL4447359 0.85 ITGB1 (0.50) TACR3ALDH1A1GAALMNAMAPT
SCHEMBL4454245 0.76 TACR3 (0.54) TACR3MMP1MMP3MMP2MMP9
SCHEMBL14024226 0.72 MEN1 (0.54) TACR3ALDH1A1GAAS1PR3
SCHEMBL4444765 0.72 S1PR3 (0.56) TACR3ALDH1A1LMNACA1CA2
SCHEMBL4448302 0.70 PSMB5 (0.65) TACR3ALDH1A1S1PR3
SCHEMBL35247 0.70 LMNA (0.66) ALDH1A1GAALMNAPOLB
SCHEMBL4448204 0.69 MTTP (0.52) TACR3LMNACA1CA2MMP1
SCHEMBL4448206 0.69 MTTP (0.52) TACR3LMNACA1CA2MMP1
SCHEMBL4435883 0.68 EPHX2 (0.47) ALDH1A1LMNA

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-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
WO-2008141446-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-27 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-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I TACR3 556/4885ALDH1A1 2335/4885GAA 966/4885

“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.