SCHEMBL3553788

SCHEMBL3553788

CCCCc1ccc(S(=O)(=O)Nc2cccc(CCc3cccc(C(=O)O)c3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
WDR5 P61964 1/20 0.56
METAP2 P50579 1/20 0.55
GHSR Q92847 2/20 0.54
HTR6 P50406 6/20 0.54
MLNR O43193 1/20 0.54
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
SLC16A3 O15427 1/20 0.53
FFAR1 O14842 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
LIMK1 P53667 2/20 0.52
LIMK2 P53671 2/20 0.52
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
ATM Q13315 1/20 0.51
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50

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
SCHEMBL3556538 0.94 METAP2 (0.56) POLBWDR5METAP2GHSRHTR6
SCHEMBL3555360 0.94 FFAR1 (0.59) POLBWDR5METAP2GHSRHTR6
SCHEMBL3555895 0.90 POLB (0.61) POLBWDR5HTR6SLC16A3LIMK2
SCHEMBL3554315 0.88 WDR5 (0.64) POLBWDR5GHSRSLC16A3
SCHEMBL3555334 0.87 KAT6A (0.56) POLBWDR5METAP2KEAP1NFE2L2
SCHEMBL3565938 0.87 METAP2 (0.59) POLBMETAP2GHSRHTR6MLNR
SCHEMBL3558114 0.87 POLB (0.67) POLBHTR6SLC16A3
SCHEMBL3562390 0.86 POLB (0.62) POLBHTR6SLC16A3LIMK1LIMK2
SCHEMBL31681336 0.86 POLB (0.69) POLBWDR5METAP2KEAP1NFE2L2
SCHEMBL3553555 0.86 HTR6 (0.67) POLBHTR6KEAP1NFE2L2SLC16A3

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 POLB 3962/4885WDR5 1795/4885METAP2 2438/4885

“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.