SCHEMBL3559539

SCHEMBL3559539

Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc(CCc3ccccc3C(=O)O)c2)c(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
CRHBP P24387 1/20 0.47
KMT2A Q03164 1/20 0.47
CRHR2 Q13324 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR6 P50406 4/20 0.46
SLC16A3 O15427 6/20 0.46
ADRB2 P07550 1/20 0.45
NR1I2 O75469 1/20 0.43
IDH1 O75874 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
FABP4 P15090 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3556251 0.89 TSHR (0.48) MEN1KMT2AHTR6SLC16A3NR1I2
SCHEMBL3554589 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1HPGDCRHBP
SCHEMBL3555571 0.86 SLC16A3 (0.48) ALDH1A1HTR6SLC16A3ADRB2IDH1
SCHEMBL3561338 0.86 HTR6 (0.62) ALDH1A1HTR6SLC16A3ADRB2KEAP1
SCHEMBL3559952 0.86 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHTR6SLC16A3
SCHEMBL3556527 0.85 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHTR6SLC16A3
SCHEMBL3558908 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHTR6SLC16A3ADRB2
SCHEMBL3557656 0.84 HTR6 (0.53) ALDH1A1MEN1HPGDKMT2AHTR6
SCHEMBL3561347 0.83 PDE4B (0.46) ALDH1A1HTR6SLC16A3ADRB2FABP4
SCHEMBL3561354 0.83 ALDH1A1 (0.58) ALDH1A1MEN1HPGDKMT2AHSD17B10

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 61/4885KDM4E 1045/4885MEN1 2548/4885

“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.