SCHEMBL3559525

SCHEMBL3559525

O=C(O)c1cccc(CCc2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.65
RAB9A P51151 1/20 0.47
AKR1C3 P42330 5/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
PTK2B Q14289 1/20 0.45
KMT2A Q03164 2/20 0.44
PFKFB3 Q16875 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41

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
SCHEMBL3557616 0.94 SLC16A3 (0.57) SLC16A3RAB9AAKR1C3KDM4ETSHR
SCHEMBL3564863 0.89 SLC16A3 (0.61) SLC16A3RAB9AKMT2AMEN1LMNA
SCHEMBL3561549 0.88 SLC16A3 (0.63) SLC16A3RAB9AAKR1C3KDM4ETSHR
SCHEMBL3554439 0.86 PFKFB3 (0.53) SLC16A3AKR1C3KMT2APFKFB3MEN1
SCHEMBL3552744 0.86 SLC16A3 (0.85) SLC16A3RAB9AAKR1C3KDM4ETSHR
SCHEMBL3556902 0.85 MEN1 (0.51) SLC16A3RAB9AAKR1C3KMT2APFKFB3
SCHEMBL3553027 0.85 MEN1 (0.45) SLC16A3RAB9AKDM4EKMT2AMEN1
SCHEMBL3555166 0.82 SLC16A3 (0.53) SLC16A3RAB9AKMT2AMEN1LMNA
SCHEMBL3563249 0.82 SLC16A3 (0.56) SLC16A3RAB9AAKR1C3KDM4ETSHR
SCHEMBL3560301 0.82 SLC16A3 (0.66) SLC16A3KMT2AMEN1LMNAMAPT

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 SLC16A3 425/4885RAB9A 4528/4885AKR1C3 23/4885

“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.