SCHEMBL3556522

SCHEMBL3556522

O=C(O)c1ccc(S(=O)(=O)Nc2ccc(CCc3cccc(C(=O)O)c3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.58
POLB P06746 2/20 0.58
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA12 O43570 1/20 0.57
CA9 Q16790 1/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2C9 P11712 1/20 0.52
ATIC P31939 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LIMK1 P53667 1/20 0.52
LIMK2 P53671 1/20 0.52
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 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
SCHEMBL3552742 0.94 MEN1 (0.63) SLC16A3POLBKMT2AMEN1HDAC4
SCHEMBL3554909 0.93 CA12 (0.60) SLC16A3POLBCA12CA9KMT2A
SCHEMBL3557363 0.91 PRMT1 (0.59) SLC16A3POLBKMT2AMEN1GAA
SCHEMBL3555180 0.91 ALDH1A1 (0.57) SLC16A3POLBCA1CA2KMT2A
SCHEMBL3554962 0.91 ALDH1A1 (0.64) SLC16A3POLBCA1CA2CA12
SCHEMBL3555334 0.91 KAT6A (0.56) SLC16A3POLBCA1CA2KMT2A
SCHEMBL3562814 0.91 SLC16A3 (0.71) SLC16A3POLBKMT2AMEN1ALDH1A1
SCHEMBL3558114 0.91 POLB (0.67) SLC16A3POLBCA1CA2CA12
SCHEMBL3555871 0.90 POLB (0.60) SLC16A3POLBCA1CA2CA12
SCHEMBL3555360 0.89 FFAR1 (0.59) SLC16A3POLBKMT2AMEN1ALDH1A1

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 SLC16A3 425/4885POLB 3962/4885CA1 1700/4885

“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.