SCHEMBL3557729

SCHEMBL3557729

CCCCc1ccc(S(=O)(=O)Nc2ccccc2CCc2ccccc2C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.65
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
SLC16A3 O15427 4/20 0.54
MCL1 Q07820 1/20 0.53
PLK1 P53350 4/20 0.50
WDR5 P61964 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PLK3 Q9H4B4 3/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 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
SCHEMBL3554502 0.97 METAP2 (0.64) METAP2KDM4EALDH1A1SLC16A3MCL1
SCHEMBL3552643 0.93 METAP2 (0.63) METAP2KDM4EALDH1A1SLC16A3MCL1
SCHEMBL3554053 0.91 METAP2 (0.61) METAP2KDM4EALDH1A1SLC16A3MCL1
SCHEMBL3558258 0.90 METAP2 (0.60) METAP2KDM4EALDH1A1SLC16A3MCL1
SCHEMBL3558171 0.90 METAP2 (0.60) METAP2KDM4EALDH1A1SLC16A3MEN1
SCHEMBL23200377 0.89 METAP2 (0.76) METAP2KDM4EALDH1A1MCL1PLK1
SCHEMBL3558903 0.89 FFAR1 (0.59) METAP2ALDH1A1MCL1HDAC1FFAR1
SCHEMBL3559576 0.89 SLC16A3 (0.69) METAP2KDM4EALDH1A1SLC16A3MCL1
SCHEMBL3560029 0.87 WDR5 (0.59) METAP2KDM4EALDH1A1SLC16A3MCL1
SCHEMBL3561760 0.86 SLC16A3 (0.63) METAP2KDM4EALDH1A1SLC16A3MCL1

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 8 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-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
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
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 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 METAP2 2438/4885KDM4E 1045/4885ALDH1A1 61/4885

“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.