SCHEMBL3558702

SCHEMBL3558702

CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2OCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
BDKRB1 P46663 4/20 0.54
TDP1 Q9NUW8 1/20 0.52
EGFR P00533 1/20 0.52
MGAT2 Q10469 1/20 0.51
CACNA1H O95180 1/20 0.50
CACNA1B Q00975 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SLC16A3 O15427 1/20 0.49

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
SCHEMBL3554984 0.90 PKM (0.56) HTTLMNATDP1CACNA1HCACNA1B
SCHEMBL3565335 0.89 CACNA1H (0.53) HTTLMNASMN1; SMN2TDP1CACNA1H
SCHEMBL3554494 0.88 PKM (0.56) LMNASMN1; SMN2TDP1CACNA1HCACNA1B
SCHEMBL3562888 0.87 SLC16A3 (0.64) HTTLMNASMN1; SMN2TDP1CACNA1H
SCHEMBL3552318 0.87 GFER (0.56) HTTLMNASMN1; SMN2TDP1CACNA1H
SCHEMBL3558860 0.87 WDR5 (0.57) HTTLMNASMN1; SMN2TDP1CACNA1H
SCHEMBL3563406 0.86 CACNA1H (0.52) HTTTDP1CACNA1HCACNA1BSLC16A3
SCHEMBL3561665 0.86 CACNA1H (0.58) TDP1CACNA1HCACNA1BSLC16A3
SCHEMBL3558807 0.85 TDP1 (0.56) HTTLMNATDP1CACNA1HCACNA1B
SCHEMBL3559188 0.85 CCR2 (0.58) TDP1CACNA1HCACNA1BSLC16A3

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 HTT 3739/4885LMNA 2120/4885SMN1; SMN2 4522/4885

“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.