SCHEMBL3559529

SCHEMBL3559529

O=C(O)c1cccc(CCc2ccccc2NS(=O)(=O)c2sccc2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.62
RAB9A P51151 1/20 0.45
AKR1C3 P42330 5/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
PTK2B Q14289 1/20 0.43
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL3557620 0.94 SLC16A3 (0.56) SLC16A3RAB9AAKR1C3KDM4ETSHR
SCHEMBL3558201 0.89 SLC16A3 (0.58) SLC16A3RAB9AKDM4EKMT2ANPSR1
SCHEMBL3554444 0.87 THRB (0.52) SLC16A3AKR1C3KMT2ANPSR1THRB
SCHEMBL3556908 0.86 MEN1 (0.48) SLC16A3RAB9AAKR1C3KMT2ANPSR1
SCHEMBL3553033 0.86 NPSR1 (0.45) SLC16A3RAB9AKDM4EKMT2ANPSR1
SCHEMBL3551762 0.83 SLC16A3 (0.53) SLC16A3RAB9AKDM4EKMT2ANPSR1
SCHEMBL3552744 0.83 SLC16A3 (0.85) SLC16A3RAB9AAKR1C3KDM4ETSHR
SCHEMBL3552311 0.83 HTR6 (0.44) SLC16A3NPSR1THRB
SCHEMBL3552840 0.82 NPSR1 (0.43) SLC16A3KMT2ANPSR1
SCHEMBL3561549 0.82 SLC16A3 (0.63) SLC16A3RAB9AAKR1C3KDM4ETSHR

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.