SCHEMBL3555360

SCHEMBL3555360

CCCCc1ccc(S(=O)(=O)Nc2ccc(CCc3cccc(C(=O)O)c3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59
METAP2 P50579 1/20 0.56
GHSR Q92847 2/20 0.53
SLC16A3 O15427 2/20 0.53
LIMK1 P53667 1/20 0.53
LIMK2 P53671 1/20 0.53
POLB P06746 2/20 0.52
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
HTR6 P50406 2/20 0.52
ATM Q13315 1/20 0.52
WDR5 P61964 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 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
SCHEMBL3553788 0.94 POLB (0.57) FFAR1FFAR4METAP2GHSRSLC16A3
SCHEMBL3555334 0.93 KAT6A (0.56) FFAR1FFAR4METAP2SLC16A3LIMK1
SCHEMBL3555180 0.91 ALDH1A1 (0.57) GHSRSLC16A3LIMK2POLBALDH1A1
SCHEMBL3554243 0.91 MEN1 (0.60) SLC16A3POLBWDR5ALDH1A1MEN1
SCHEMBL14680112 0.90 KMT2A (0.60) FFAR1FFAR4METAP2WDR5ALDH1A1
SCHEMBL3556522 0.89 SLC16A3 (0.58) SLC16A3LIMK1LIMK2POLBALDH1A1
SCHEMBL3556538 0.89 METAP2 (0.56) FFAR1FFAR4METAP2GHSRLIMK1
SCHEMBL3554962 0.88 ALDH1A1 (0.64) SLC16A3LIMK2POLBALDH1A1MEN1
SCHEMBL3552742 0.88 MEN1 (0.63) SLC16A3POLBHTR6MEN1KMT2A
SCHEMBL3558350 0.88 FFAR1 (0.67) FFAR1FFAR4METAP2GHSRLIMK1

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 FFAR1 22/4885FFAR4 70/4885METAP2 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.