SCHEMBL3556538

SCHEMBL3556538

CCCCc1ccc(S(=O)(=O)Nc2cccc(CCc3ccc(C(=O)O)cc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.56
LIMK1 P53667 4/20 0.55
LIMK2 P53671 3/20 0.55
HTR6 P50406 6/20 0.55
GHSR Q92847 2/20 0.55
MLNR O43193 1/20 0.55
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
POLB P06746 2/20 0.52
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
ATM Q13315 1/20 0.52
WDR5 P61964 1/20 0.52
RARB P10826 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51

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) METAP2LIMK1LIMK2HTR6GHSR
SCHEMBL3555871 0.92 POLB (0.60) LIMK1LIMK2HTR6POLB
SCHEMBL3561244 0.91 ALDH1A1 (0.57) LIMK1LIMK2HTR6POLB
SCHEMBL3550679 0.91 WDR5 (0.57) LIMK1LIMK2GHSRPOLBWDR5
SCHEMBL3555360 0.89 FFAR1 (0.59) METAP2LIMK1LIMK2HTR6GHSR
SCHEMBL3553771 0.88 CA12 (0.61) LIMK1LIMK2HTR6POLB
SCHEMBL3556021 0.88 KDM1A (0.59) LIMK1LIMK2HTR6POLB
SCHEMBL3558350 0.88 FFAR1 (0.67) METAP2LIMK1LIMK2HTR6GHSR
SCHEMBL3555628 0.88 HTR6 (0.65) LIMK1LIMK2HTR6KEAP1NFE2L2
SCHEMBL3565938 0.86 METAP2 (0.59) METAP2LIMK1LIMK2HTR6GHSR

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 6 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
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP disclosed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 WO 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 METAP2 2438/4885LIMK1 2986/4885LIMK2 3634/4885

“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.