SCHEMBL3559952

SCHEMBL3559952

Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc(CCc3cccc(C(=O)O)c3)c2)c(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
WDR5 P61964 1/20 0.51
POLB P06746 1/20 0.50
THRB P10828 1/20 0.49
SLC16A3 O15427 4/20 0.48
AKR1C3 P42330 1/20 0.48
PFKFB4 Q16877 3/20 0.47
HTR6 P50406 3/20 0.47
PFKFB3 Q16875 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL3552082 0.91 MEN1 (0.48) ALDH1A1WDR5SLC16A3AKR1C3MEN1
SCHEMBL3551155 0.91 HTR6 (0.46) ALDH1A1WDR5POLBTHRBAKR1C3
SCHEMBL3557309 0.88 MEN1 (0.52) ALDH1A1WDR5POLBTHRBSLC16A3
SCHEMBL3559539 0.86 ALDH1A1 (0.47) ALDH1A1SLC16A3HTR6MEN1KMT2A
SCHEMBL3556603 0.85 SLC16A3 (0.52) POLBTHRBSLC16A3AKR1C3HTR6
SCHEMBL3562390 0.84 POLB (0.62) ALDH1A1POLBSLC16A3AKR1C3HTR6
SCHEMBL3552087 0.83 SLC16A3 (0.68) ALDH1A1SLC16A3AKR1C3MEN1KMT2A
SCHEMBL3553555 0.83 HTR6 (0.67) POLBSLC16A3AKR1C3HTR6PFKFB3
SCHEMBL3561858 0.83 MEN1 (0.65) ALDH1A1POLBTHRBSLC16A3AKR1C3
SCHEMBL3557388 0.83 ALDH1A1 (0.57) ALDH1A1POLBSLC16A3AKR1C3HTR6

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 61/4885WDR5 1795/4885POLB 3962/4885

“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.