SCHEMBL3563355

SCHEMBL3563355

COc1cc(C)c(S(=O)(=O)Nc2ccccc2CCc2ccc(C(=O)O)cc2)c(C)c1C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 9/20 0.61
NMT1 P30419 1/20 0.53
RAD52 P43351 1/20 0.49
HDAC3 O15379 2/20 0.47
NCOR2 Q9Y618 2/20 0.47
HDAC1 Q13547 1/20 0.47
F2 P00734 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC2 Q92769 1/20 0.45
FABP4 P15090 1/20 0.44
AVPR1B P47901 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43

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
SCHEMBL3555109 0.94 SLC16A3 (0.57) SLC16A3NMT1RAD52HDAC3NCOR2
SCHEMBL5160793 0.88 SLC16A3 (0.67) SLC16A3NMT1HDAC3NCOR2HDAC1
SCHEMBL3551157 0.85 SLC16A3 (0.64) SLC16A3RAD52HDAC3NCOR2HDAC1
SCHEMBL3554928 0.85 SLC16A3 (0.70) SLC16A3NMT1RAD52F2FABP4
SCHEMBL3558996 0.84 SLC16A3 (0.63) SLC16A3HDAC3NCOR2HDAC1MEN1
SCHEMBL3563266 0.83 F2 (0.49) SLC16A3NMT1F2MEN1KMT2A
SCHEMBL3553693 0.82 SLC16A3 (0.54) SLC16A3NMT1RAD52F2MEN1
SCHEMBL3556284 0.81 SLC16A3 (0.70) SLC16A3HDAC3NCOR2HDAC1MEN1
SCHEMBL3553540 0.80 NMT1 (0.54) SLC16A3NMT1RAD52F2MEN1
SCHEMBL3556006 0.79 MEN1 (0.64) SLC16A3HDAC3NCOR2HDAC1MEN1

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 425/4885NMT1 1573/4885RAD52 4737/4885

“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.