SCHEMBL3557112

SCHEMBL3557112

CCCCOc1ccc(S(=O)(=O)CCCCNc2ccccc2CCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP1 P03956 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PLA2G4B P0C869 3/20 0.42
HDAC1 Q13547 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PLK1 P53350 1/20 0.41
RARB P10826 3/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL3557956 0.92 SLC16A3 (0.49) SLC16A3MEN1KMT2AMAPTHDAC1
SCHEMBL3560868 0.87 HDAC1 (0.53) SLC16A3TSHRHDAC1TAS2R14HDAC8
SCHEMBL3561599 0.87 SLC16A3 (0.50) SLC16A3TSHRHDAC1TAS2R14HDAC8
SCHEMBL3555272 0.86 HDAC1 (0.52) SLC16A3TSHRHDAC1TAS2R14HDAC8
SCHEMBL3553935 0.86 SLC16A3 (0.49) SLC16A3TSHRHDAC1TAS2R14HDAC8
SCHEMBL3560802 0.84 SLC16A3 (0.48) SLC16A3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3552967 0.84 SLC16A3 (0.49) SLC16A3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3556567 0.84 SLC16A3 (0.51) SLC16A3NPC1RAB9ATSHRHDAC1
SCHEMBL3555822 0.83 SLC16A3 (0.66) SLC16A3NPC1RAB9AMEN1KMT2A
SCHEMBL3554116 0.81 SLC16A3 (0.47) SLC16A3NPC1RAB9AMAPTSMN1; SMN2

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 425/4885NPC1 2684/4885RAB9A 4528/4885

“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.