SCHEMBL3563401

SCHEMBL3563401

O=C(O)c1cccc(CCc2cccc(NS(=O)(=O)c3cccs3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 2/20 0.54
LIMK2 P53671 1/20 0.51
BCHE P06276 1/20 0.51
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
MCL1 Q07820 1/20 0.48
BCL2A1 Q16548 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
PARP1 P09874 1/20 0.47
MAPT P10636 1/20 0.47
PFKFB3 Q16875 1/20 0.47

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
SCHEMBL3563409 0.92 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AHPGDLIMK2
SCHEMBL3559462 0.92 LMNA (0.58) ALDH1A1MEN1KMT2AHPGDLIMK2
SCHEMBL711952 0.89 MEN1 (0.67) ALDH1A1MEN1KMT2AHPGDBCHE
SCHEMBL3561772 0.86 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHPGDLIMK2
SCHEMBL3560301 0.84 SLC16A3 (0.66) ALDH1A1MEN1KMT2ALIMK2BCHE
SCHEMBL3553555 0.81 HTR6 (0.67) MEN1KMT2APOLBMAPTPFKFB3
SCHEMBL3556918 0.80 HTR6 (0.48) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL3553780 0.80 SLC16A3 (0.59) ALDH1A1MEN1KMT2ALIMK2BCHE
SCHEMBL3558114 0.80 POLB (0.67) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL3564174 0.80 LMNA (0.64) ALDH1A1MEN1KMT2AHPGDLIMK2

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 ALDH1A1 61/4885MEN1 2548/4885KMT2A 4045/4885

“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.