SCHEMBL3555440

SCHEMBL3555440

O=C(O)c1ccc(OCCOc2ccccc2NS(=O)(=O)c2sccc2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 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
MCL1 Q07820 1/20 0.38
BCL2A1 Q16548 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3558111 0.88 KMT2A (0.47) PKMNPSR1MAPTTSHRMEN1
SCHEMBL3554494 0.83 PKM (0.56) PKMSLC16A3CACNA1HCACNA1BMCL1
SCHEMBL3563399 0.83 ALDH1A1 (0.49) PKMNPSR1MCL1BCL2A1ALDH1A1
SCHEMBL3555433 0.81 PKM (0.46) PKMRAD52SLC16A3CACNA1HCACNA1B
SCHEMBL3554984 0.81 PKM (0.56) PKMSLC16A3CACNA1HCACNA1BMCL1
SCHEMBL3558820 0.81 PKM (0.43) PKMRAD52SLC16A3CACNA1HCACNA1B
SCHEMBL3562052 0.80 ALDH1A1 (0.61) PKMMCL1BCL2A1LMNAALDH1A1
SCHEMBL3555612 0.79 MMP2 (0.46) PKMNPSR1MAPTTDP1MEN1
SCHEMBL3555887 0.78 TDP1 (0.44) PKMNPSR1MAPTTDP1MEN1
SCHEMBL3561665 0.77 CACNA1H (0.58) PKMSLC16A3CACNA1HCACNA1BMCL1

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 990/4885NPSR1 2156/4885RAD52 4737/4885

“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.