SCHEMBL3563409

SCHEMBL3563409

O=C(O)c1ccc(CCc2cccc(NS(=O)(=O)c3cccs3)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
HPGD P15428 4/20 0.53
LIMK2 P53671 1/20 0.53
LMNA P02545 2/20 0.52
RECQL P46063 1/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
PKM P14618 2/20 0.50
MCL1 Q07820 1/20 0.50
BCL2A1 Q16548 1/20 0.50
PARP1 P09874 1/20 0.48
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
BRD4 O60885 1/20 0.46

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
SCHEMBL3563401 0.92 ALDH1A1 (0.67) ALDH1A1HPGDLIMK2LMNARECQL
SCHEMBL3564174 0.89 LMNA (0.64) ALDH1A1HPGDLIMK2LMNARECQL
SCHEMBL3559462 0.88 LMNA (0.58) ALDH1A1HPGDLIMK2LMNARECQL
SCHEMBL3561772 0.83 ALDH1A1 (0.62) ALDH1A1HPGDLIMK2MEN1KMT2A
SCHEMBL3555871 0.83 POLB (0.60) LIMK2MEN1KMT2A
SCHEMBL711952 0.82 MEN1 (0.67) ALDH1A1HPGDMEN1KMT2AHTT
SCHEMBL3555628 0.82 HTR6 (0.65) LIMK2MEN1KMT2A
SCHEMBL8266867 0.81 MEN1 (0.66) ALDH1A1HPGDLIMK2LMNAMEN1
SCHEMBL3562949 0.81 HTR6 (0.47) ALDH1A1KMT2A
SCHEMBL3562342 0.80 HTR6 (0.48) KMT2A

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 61/4885HPGD 389/4885LIMK2 3634/4885

“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.