SCHEMBL3559548

SCHEMBL3559548

O=C(O)c1cccc(CCc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.73
TSHR P16473 1/20 0.70
ALDH1A1 P00352 1/20 0.57
HTT P42858 1/20 0.57
PFKFB3 Q16875 1/20 0.57
PGR P06401 1/20 0.53
FABP4 P15090 2/20 0.51
WDR5 P61964 1/20 0.51
FABP5 Q01469 1/20 0.51
HDAC1 Q13547 1/20 0.50
RORA P35398 1/20 0.49
RORC P51449 1/20 0.49
NR1H2 P55055 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
MAP1LC3B Q9GZQ8 1/20 0.49
MAP1LC3A Q9H492 1/20 0.49
NR1I2 O75469 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL3561271 0.92 SLC16A3 (0.74) SLC16A3TSHRALDH1A1HTTPFKFB3
SCHEMBL3559856 0.91 TSHR (0.85) SLC16A3TSHRALDH1A1HTTPFKFB3
SCHEMBL3558846 0.89 TSHR (0.70) SLC16A3TSHRALDH1A1HTTPFKFB3
SCHEMBL3560143 0.85 PTK2B (0.58) SLC16A3TSHRALDH1A1NR1I2MEN1
SCHEMBL3555905 0.84 SLC16A3 (1.00) SLC16A3TSHRALDH1A1HTTPFKFB3
SCHEMBL3554864 0.84 SLC16A3 (0.53) SLC16A3TSHRMEN1KMT2A
SCHEMBL3562058 0.84 SLC16A3 (0.66) SLC16A3TSHRALDH1A1HTTPFKFB3
SCHEMBL3554391 0.84 EDNRA (0.57) SLC16A3TSHRHDAC1
SCHEMBL3552742 0.83 MEN1 (0.63) SLC16A3PFKFB3HDAC1MEN1KMT2A
SCHEMBL15762086 0.83 TSHR (1.00) SLC16A3TSHRALDH1A1HTTPFKFB3

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 425/4885TSHR 3483/4885ALDH1A1 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.