SCHEMBL3558151

SCHEMBL3558151

O=C(O)c1ccc(CCc2ccccc2NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.61
HPGD P15428 2/20 0.49
ACLY P53396 1/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC1 Q13547 1/20 0.43
GLO1 Q04760 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER2 P43116 1/20 0.43

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
SCHEMBL3554388 0.92 SLC16A3 (0.56) SLC16A3HPGDACLYHSD17B10TSHR
SCHEMBL3561693 0.87 SLC16A3 (0.67) SLC16A3HPGDACLYGLO1
Benzene SCHEMBL3558153 0.84 SLC16A3 (0.63) SLC16A3HPGDHSD17B10TSHRKDM4E
SCHEMBL3555896 0.84 ACLY (0.56) SLC16A3HPGDACLYHSD17B10TSHR
SCHEMBL3558898 0.84 SLC16A3 (0.63) SLC16A3HPGDHSD17B10TSHRKDM4E
SCHEMBL3560317 0.83 HPGD (0.69) HPGDHSD17B10TSHRALDH1A1HDAC1
SCHEMBL3553847 0.83 SLC16A3 (0.76) SLC16A3KDM4EALDH1A1HDAC1
SCHEMBL3557941 0.83 SLC16A3 (0.56) SLC16A3
SCHEMBL3555142 0.81 SLC16A3 (0.54) SLC16A3
SCHEMBL3560319 0.81 SLC16A3 (0.60) SLC16A3ALDH1A1HDAC1

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 425/4885HPGD 389/4885ACLY 586/4885

“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.