SCHEMBL3556993

SCHEMBL3556993

O=C(O)c1cccc(CCc2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.54
SLC16A3 O15427 4/20 0.52
IDH1 O75874 2/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
PKLR P30613 1/20 0.49
ALKBH2 Q6NS38 1/20 0.49
ALKBH3 Q96Q83 1/20 0.49
FTO Q9C0B1 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
HSD11B1 P28845 1/20 0.49
WDR5 P61964 1/20 0.47
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 0.47

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
SCHEMBL3562430 0.92 IDH1 (0.53) SLC22A12SLC16A3IDH1MEN1ALDH1A1
SCHEMBL3555827 0.92 PKLR (0.53) SLC22A12SLC16A3IDH1MEN1ALDH1A1
SCHEMBL3720283 0.90 SLC22A12 (0.62) SLC22A12MEN1ALDH1A1KMT2AALKBH2
SCHEMBL3560911 0.88 MEN1 (0.57) SLC22A12SLC16A3IDH1MEN1ALDH1A1
SCHEMBL3562163 0.86 SLC16A3 (0.71) SLC22A12SLC16A3MEN1ALDH1A1KMT2A
SCHEMBL5164879 0.86 SLC16A3 (0.54) SLC22A12SLC16A3IDH1MEN1KMT2A
SCHEMBL3560333 0.85 PTK2B (0.60) SLC16A3MEN1ALDH1A1KMT2AWDR5
SCHEMBL3558721 0.84 SLC16A3 (0.51) SLC22A12SLC16A3IDH1FABP4FABP5
SCHEMBL3557901 0.83 SLC16A3 (0.64) SLC22A12SLC16A3MEN1ALDH1A1KMT2A
SCHEMBL3561271 0.82 SLC16A3 (0.74) SLC16A3ALDH1A1KMT2AWDR5FABP4

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 SLC22A12 1094/4885SLC16A3 425/4885IDH1 970/4885

“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.