SCHEMBL3554420

SCHEMBL3554420

Cc1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccc(C(=O)O)cc3)cc2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
GFER P55789 1/20 0.55
CYP26A1 O43174 1/20 0.54
GAA P10253 2/20 0.53
WDR5 P61964 1/20 0.53
POLB P06746 2/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B13 Q7Z5P4 1/20 0.51
PTPN5 P54829 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
IKBKB O14920 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
SCHEMBL3557008 0.86 MAPT (0.62) ALDH1A1GFERCYP26A1GAAWDR5
SCHEMBL3557803 0.85 ALDH1A1 (0.57) ALDH1A1GFERGAAWDR5HSD17B10
SCHEMBL3561699 0.84 ALDH1A1 (0.59) ALDH1A1GFERCYP26A1GAAPOLB
SCHEMBL3555882 0.83 GFER (0.79) ALDH1A1GFERGAAWDR5POLB
SCHEMBL3554808 0.82 POLB (0.56) ALDH1A1CYP26A1GAAWDR5POLB
SCHEMBL3556205 0.81 MAPT (0.64) ALDH1A1GFERWDR5KMT2AMEN1
SCHEMBL3561580 0.81 POLB (0.46) ALDH1A1CYP26A1GAAPOLBHSD17B10
SCHEMBL3558042 0.80 POLB (0.45) ALDH1A1GAAPOLBHSD17B10KMT2A
SCHEMBL3560298 0.79 GFER (0.54) ALDH1A1GFERWDR5HSD17B10KMT2A
SCHEMBL3557116 0.79 MEN1 (0.49) GFERWDR5KMT2AMEN1HPGD

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 ALDH1A1 61/4885GFER 343/4885CYP26A1 166/4885

“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.