SCHEMBL3552369

SCHEMBL3552369

CC(C)c1ccc(S(=O)(=O)Nc2ccccc2CCCc2ccccc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SLC16A3 O15427 6/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MALT1 Q9UDY8 1/20 0.47
KCNA5 P22460 1/20 0.47
LMNA P02545 1/20 0.46
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CASP6 P55212 1/20 0.46
MCL1 Q07820 1/20 0.46
CCR1 P32246 1/20 0.46
CCR2 P41597 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
SCHEMBL3554787 0.97 SLC16A3 (0.51) KDM4EALDH1A1SLC16A3MEN1KMT2A
SCHEMBL3561603 0.95 SLC16A3 (0.53) KDM4EALDH1A1SLC16A3MEN1KMT2A
SCHEMBL3554581 0.88 KDM4E (0.54) KDM4EALDH1A1SLC16A3MEN1KMT2A
SCHEMBL3563326 0.87 CCR2 (0.60) KDM4EALDH1A1SLC16A3MEN1KMT2A
SCHEMBL3561988 0.87 SLC16A3 (0.59) KDM4EALDH1A1SLC16A3KCNA5LMNA
SCHEMBL3558585 0.86 SLC16A3 (0.58) KDM4EALDH1A1SLC16A3MEN1KMT2A
SCHEMBL3555224 0.86 ACLY (0.55) KDM4EALDH1A1SLC16A3MEN1KMT2A
SCHEMBL3556281 0.86 SLC16A3 (0.62) KDM4EALDH1A1SLC16A3MEN1KMT2A
SCHEMBL3558790 0.85 SLC16A3 (0.67) KDM4ESLC16A3MEN1KMT2AMALT1
SCHEMBL3554531 0.85 CA12 (0.53) KDM4EALDH1A1SLC16A3MEN1KMT2A

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 KDM4E 1045/4885ALDH1A1 61/4885SLC16A3 425/4885

“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.