SCHEMBL3559474

SCHEMBL3559474

O=C(O)c1ccc(CCc2ccccc2NS(=O)(=O)c2cccc(F)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.71
HDAC3 O15379 2/20 0.53
NCOR2 Q9Y618 2/20 0.53
HDAC2 Q92769 1/20 0.53
RAB9A P51151 1/20 0.50
TAS2R14 Q9NYV8 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
PTK2B Q14289 1/20 0.48
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.47
AKR1C3 P42330 2/20 0.47
PTGER4 P35408 1/20 0.45
PTGER2 P43116 1/20 0.45
SLC10A2 Q12908 1/20 0.45
SLC10A1 Q14973 1/20 0.45
SLC10A6 Q3KNW5 1/20 0.45

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
SCHEMBL3559742 0.94 SLC16A3 (0.62) SLC16A3HDAC3NCOR2HDAC2RAB9A
SCHEMBL3556646 0.90 SLC16A3 (0.82) SLC16A3RAB9AKDM4ETSHRPTK2B
SCHEMBL3553847 0.88 SLC16A3 (0.76) SLC16A3HDAC3NCOR2HDAC2RAB9A
SCHEMBL3557761 0.87 SLC16A3 (0.71) SLC16A3HDAC3NCOR2RAB9AKDM4E
SCHEMBL3559926 0.86 SLC16A3 (0.67) SLC16A3RAB9AKDM4EKMT2APTGER4
SCHEMBL3551727 0.85 SLC16A3 (0.61) SLC16A3RAB9AKDM4ETSHRPTK2B
SCHEMBL3554760 0.85 HDAC4 (0.61) HDAC3HDAC2TAS2R14KMT2AHDAC1
SCHEMBL3560616 0.84 SLC16A3 (0.72) SLC16A3RAB9AKDM4ETSHRPTK2B
SCHEMBL3561861 0.84 SLC16A3 (0.70) SLC16A3HDAC3NCOR2HDAC2TAS2R14
SCHEMBL3560891 0.83 SLC16A3 (0.64) SLC16A3HDAC3NCOR2HDAC2KDM4E

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 425/4885HDAC3 3383/4885NCOR2 1141/4885

“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.