SCHEMBL3558244

SCHEMBL3558244

O=C(O)c1ccc(CCc2ccccc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.67
HDAC3 O15379 4/20 0.56
HDAC1 Q13547 3/20 0.56
NCOR2 Q9Y618 2/20 0.56
HDAC2 Q92769 3/20 0.53
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
TRPM8 Q7Z2W7 4/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
SCN3A Q9NY46 1/20 0.45
TSHR P16473 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
SCHEMBL3554032 0.94 SLC16A3 (0.59) SLC16A3HDAC3HDAC1NCOR2HDAC2
SCHEMBL3560300 0.89 SLC16A3 (0.74) SLC16A3HDAC3HDAC1NCOR2HDAC2
SCHEMBL3557587 0.86 HDAC3 (0.73) SLC16A3HDAC3HDAC1NCOR2HDAC2
SCHEMBL3554617 0.86 SLC16A3 (0.68) SLC16A3HDAC3HDAC1NCOR2HDAC2
SCHEMBL3555127 0.86 SLC16A3 (0.53) SLC16A3HDAC3HDAC1NCOR2TSHR
SCHEMBL3553847 0.85 SLC16A3 (0.76) SLC16A3HDAC3HDAC1NCOR2HDAC2
SCHEMBL3567080 0.85 SLC16A3 (0.72) SLC16A3HDAC3HDAC1NCOR2HDAC2
SCHEMBL3559870 0.85 HDAC1 (0.62) HDAC3HDAC1HDAC2MMP2MMP9
SCHEMBL3556734 0.85 SLC16A3 (0.72) SLC16A3HDAC3HDAC1NCOR2HDAC2
SCHEMBL3560779 0.83 SLC16A3 (0.64) SLC16A3HDAC3HDAC1NCOR2HDAC2

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 3383/4885HDAC1 1894/4885

“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.