SCHEMBL3556924

SCHEMBL3556924

CC(C)c1ccc(S(=O)(=O)Nc2cccc(CCc3ccc(C(=O)O)cc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.52
POLB P06746 1/20 0.51
HTR6 P50406 5/20 0.51
LIMK2 P53671 5/20 0.49
SLC16A3 O15427 1/20 0.48
PTGES O14684 1/20 0.48
LIMK1 P53667 3/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
IKBKB O14920 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
SCHEMBL3555871 0.91 POLB (0.60) POLBHTR6LIMK2SLC16A3LIMK1
SCHEMBL3551856 0.89 SLC16A3 (0.53) POLBSLC16A3MAPTMEN1KMT2A
SCHEMBL3558881 0.88 CA12 (0.57) POLBSLC16A3MAPTMEN1KMT2A
SCHEMBL3561244 0.87 ALDH1A1 (0.57) POLBHTR6LIMK2LIMK1MAPT
SCHEMBL3556021 0.87 KDM1A (0.59) POLBHTR6LIMK2LIMK1MEN1
SCHEMBL3559499 0.87 MAPT (0.60) POLBHTR6LIMK2LIMK1MAPT
SCHEMBL3553771 0.87 CA12 (0.61) POLBHTR6LIMK2LIMK1MAPT
SCHEMBL3555628 0.87 HTR6 (0.65) POLBHTR6LIMK2SLC16A3PTGES
SCHEMBL3556538 0.85 METAP2 (0.56) POLBHTR6LIMK2LIMK1
SCHEMBL3554836 0.85 POLB (0.64) POLBHTR6LIMK2SLC16A3LIMK1

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 SLC2A1 50/4885POLB 3962/4885HTR6 2387/4885

“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.