SCHEMBL3564554

SCHEMBL3564554

CCC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(CCc3cccc(C(=O)O)c3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.56
POLB P06746 4/20 0.55
SLC16A3 O15427 2/20 0.51
HTR6 P50406 4/20 0.49
NPC1 O15118 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.47
UQCRB P14927 1/20 0.47
WDR5 P61964 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PFKFB3 Q16875 1/20 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
SCHEMBL3553324 0.93 SLC16A3 (0.50) IKBKBPOLBSLC16A3NPC1CYP2C9
SCHEMBL3563018 0.93 IKBKB (0.55) IKBKBPOLBHTR6MAPTUQCRB
SCHEMBL3559169 0.90 IKBKB (0.69) IKBKBPOLBSLC16A3HTR6MAPT
SCHEMBL3555450 0.88 IKBKB (0.52) IKBKBPOLBSLC16A3HTR6MAPT
SCHEMBL3556877 0.86 SLC16A3 (0.71) POLBSLC16A3NPC1CYP2C9RAB9A
SCHEMBL3562289 0.86 MAPT (0.61) IKBKBPOLBSLC16A3HTR6MAPT
SCHEMBL3555895 0.85 POLB (0.61) POLBSLC16A3HTR6MAPTALDH1A1
SCHEMBL3558114 0.85 POLB (0.67) POLBSLC16A3HTR6MAPTALDH1A1
SCHEMBL3562390 0.84 POLB (0.62) POLBSLC16A3HTR6ALDH1A1MEN1
SCHEMBL3553555 0.84 HTR6 (0.67) POLBSLC16A3HTR6MAPTMEN1

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 IKBKB 323/4885POLB 3962/4885SLC16A3 425/4885

“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.