SCHEMBL3563399

SCHEMBL3563399

O=C(O)c1ccccc1OCCOc1ccc(NS(=O)(=O)c2sccc2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 5/20 0.42
PTK2B Q14289 1/20 0.42
MEN1 O00255 4/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
AR P10275 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.39
MCL1 Q07820 1/20 0.38
BCL2A1 Q16548 1/20 0.38
CYP3A4 P08684 1/20 0.37
PTGS1 P23219 1/20 0.37

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) KMT2AMEN1PKMNPSR1AR
SCHEMBL3555612 0.87 MMP2 (0.46) KMT2AMEN1PKMNPSR1AR
SCHEMBL3555887 0.85 TDP1 (0.44) KMT2AMEN1PKMNPSR1AR
SCHEMBL3558986 0.83 ALDH1A1 (0.63) ALDH1A1KMT2APTK2BMEN1PKM
SCHEMBL3555440 0.83 PKM (0.43) ALDH1A1KMT2AMEN1PKMNPSR1
SCHEMBL3563394 0.81 ALDH1A1 (0.49) ALDH1A1KMT2APTK2BMEN1PKM
SCHEMBL3553044 0.80 ALDH1A1 (0.62) ALDH1A1KMT2APTK2BMEN1PKM
SCHEMBL3563384 0.80 ALDH1A1 (0.55) ALDH1A1KMT2APTK2BMEN1MAPT
SCHEMBL3563348 0.77 ALDH1A1 (0.58) ALDH1A1KMT2APTK2BMEN1PKM
SCHEMBL3564010 0.77 ALDH1A1 (0.58) ALDH1A1KMT2APTK2BMEN1PKM

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 61/4885KMT2A 4045/4885PTK2B 3187/4885

“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.