SCHEMBL3552908

SCHEMBL3552908

CC(C)S(=O)(=O)Nc1ccc(CCc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MEP1B Q16820 4/20 0.45
AKR1C3 P42330 3/20 0.45
SLC16A3 O15427 5/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
FOLH1 Q04609 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL3558954 0.91 MEP1B (0.46) MEP1BAKR1C3SLC16A3FOLH1HIF1A
SCHEMBL3555821 0.87 PARP1 (0.45) AKR1C3SLC16A3KMT2A
SCHEMBL3558658 0.86 GRIA4 (0.48) CA1CA2MEN1KMT2AADRB2
SCHEMBL3560646 0.85 KDM4E (0.49) CA1CA2AKR1C3SLC16A3MEN1
SCHEMBL3564054 0.84 HPGD (0.57) CA1CA2AKR1C3SLC16A3MEN1
SCHEMBL3559060 0.81 SLC16A3 (0.64) MEP1BAKR1C3SLC16A3
SCHEMBL3551856 0.81 SLC16A3 (0.53) AKR1C3SLC16A3MEN1KMT2AADRB2
SCHEMBL31317828 0.81 POLB (0.57) MEN1KMT2A
SCHEMBL4200531 0.81 POLB (0.57) MEN1KMT2A
SCHEMBL3557393 0.81 HPGD (0.59) CA1CA2AKR1C3SLC16A3MEN1

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 CA1 1700/4885CA2 1238/4885MEP1B 884/4885

“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.