SCHEMBL3554116

SCHEMBL3554116

COc1ccc(S(=O)(=O)CCCCCCCNc2ccccc2CCc2ccc(C(=O)O)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.47
TAS2R14 Q9NYV8 1/20 0.46
MAPT P10636 2/20 0.45
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
HTT P42858 1/20 0.43
PDE4A P27815 4/20 0.43
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL3562122 0.87 MEN1 (0.49) SLC16A3TAS2R14ABCB1ABCG2SMN1; SMN2
SCHEMBL3555272 0.86 HDAC1 (0.52) SLC16A3TAS2R14TSHRALDH1A1
SCHEMBL3553935 0.85 SLC16A3 (0.49) SLC16A3TAS2R14TSHR
SCHEMBL3557956 0.85 SLC16A3 (0.49) SLC16A3MAPTALDH1A1
SCHEMBL3560868 0.85 HDAC1 (0.53) SLC16A3TAS2R14TSHRALDH1A1
SCHEMBL3561599 0.84 SLC16A3 (0.50) SLC16A3TAS2R14TSHRALDH1A1
SCHEMBL3556567 0.83 SLC16A3 (0.51) SLC16A3TAS2R14TSHRNPC1RAB9A
SCHEMBL3552967 0.83 SLC16A3 (0.49) SLC16A3TAS2R14MAPTHTTPLAAT3
SCHEMBL3563445 0.83 SLC16A3 (0.47) SLC16A3TAS2R14
SCHEMBL3560802 0.81 SLC16A3 (0.48) SLC16A3MAPTSMN1; SMN2ALDH1A1

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 425/4885TAS2R14 3203/4885MAPT 4130/4885

“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.