SCHEMBL3555896

SCHEMBL3555896

O=C(O)c1ccccc1CCc1ccccc1NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACLY P53396 5/20 0.56
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC16A3 O15427 5/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FOLH1 Q04609 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
GLO1 Q04760 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
SCHEMBL3558665 0.93 SLC16A3 (0.54) ACLYKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3553627 0.86 SLC16A3 (0.50) HPGDSLC16A3FOLH1
SCHEMBL6137932 0.85 ACLY (0.69) ACLYKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3561693 0.84 SLC16A3 (0.67) ACLYHPGDSLC16A3GLO1
SCHEMBL3554416 0.84 HPGD (0.56) ACLYKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3558151 0.84 SLC16A3 (0.61) ACLYKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3563989 0.82 ACLY (0.49) ACLYALDH1A1HPGDHSD17B10SLC16A3
SCHEMBL3559564 0.81 KMT2A (0.55) KDM4EALDH1A1HPGDHSD17B10SLC16A3
Benzene SCHEMBL3555900 0.81 KMT2A (0.55) KDM4EALDH1A1HPGDHSD17B10SLC16A3
SCHEMBL3556511 0.80 SLC16A3 (0.48) SLC16A3

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 ACLY 586/4885KDM4E 1045/4885ALDH1A1 61/4885

“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.