SCHEMBL3558820

SCHEMBL3558820

O=C(O)c1ccc(OCCOc2ccccc2NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ACLY P53396 1/20 0.43
MCL1 Q07820 1/20 0.40
BCL2A1 Q16548 1/20 0.40
ALDH1A1 P00352 2/20 0.40
RAD52 P43351 1/20 0.39
SLC16A3 O15427 3/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
WDR5 P61964 1/20 0.38
GAB1 Q13480 1/20 0.38

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
SCHEMBL3558107 0.88 KMT2A (0.50) PKMALDH1A1MEN1KMT2APOLB
SCHEMBL3555433 0.87 PKM (0.46) PKMMCL1BCL2A1ALDH1A1RAD52
SCHEMBL3554494 0.83 PKM (0.56) PKMMCL1BCL2A1SLC16A3CACNA1H
SCHEMBL3563394 0.83 ALDH1A1 (0.49) PKMMCL1BCL2A1ALDH1A1MEN1
SCHEMBL3562052 0.82 ALDH1A1 (0.61) PKMMCL1BCL2A1ALDH1A1HTT
SCHEMBL3554984 0.81 PKM (0.56) PKMMCL1BCL2A1SLC16A3CACNA1H
SCHEMBL3555440 0.81 PKM (0.43) PKMMCL1BCL2A1ALDH1A1RAD52
SCHEMBL3560531 0.79 MMP2 (0.43) PKMALDH1A1MEN1KMT2APTGDR2
SCHEMBL3562684 0.78 SLC16A3 (0.50) PKMALDH1A1RAD52SLC16A3CACNA1H
SCHEMBL3553979 0.78 PGR (0.48) PKMMCL1BCL2A1ALDH1A1SLC16A3

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-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 PKM 990/4885ACLY 586/4885MCL1 4304/4885

“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.