SCHEMBL3558846

SCHEMBL3558846

O=C(O)c1ccc(CCc2cccc(NS(=O)(=O)c3cccc4ccccc34)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.70
SLC16A3 O15427 6/20 0.69
ALDH1A1 P00352 1/20 0.57
HTT P42858 1/20 0.57
PFKFB3 Q16875 1/20 0.57
FABP4 P15090 4/20 0.52
WDR5 P61964 1/20 0.51
FABP5 Q01469 1/20 0.51
PARP1 P09874 1/20 0.49
NR1I2 O75469 1/20 0.48
PGR P06401 1/20 0.47
HDAC1 Q13547 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
SCHEMBL3561271 0.92 SLC16A3 (0.74) TSHRSLC16A3ALDH1A1HTTPFKFB3
SCHEMBL3559856 0.91 TSHR (0.85) TSHRSLC16A3ALDH1A1HTTPFKFB3
SCHEMBL3559548 0.89 SLC16A3 (0.73) TSHRSLC16A3ALDH1A1HTTPFKFB3
SCHEMBL3563292 0.85 PTK2B (0.58) TSHRSLC16A3ALDH1A1FABP4NR1I2
SCHEMBL3563988 0.84 SLC16A3 (0.67) TSHRSLC16A3ALDH1A1HTTPFKFB3
SCHEMBL3557477 0.84 SLC16A3 (0.50) TSHRSLC16A3FABP4
SCHEMBL3562220 0.84 EDNRA (0.52) TSHRSLC16A3FABP4HDAC1
SCHEMBL3555628 0.83 HTR6 (0.65) SLC16A3PFKFB3HDAC1
SCHEMBL15762086 0.83 TSHR (1.00) TSHRSLC16A3ALDH1A1HTTPFKFB3
SCHEMBL3562430 0.82 IDH1 (0.53) TSHRSLC16A3ALDH1A1

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 TSHR 3483/4885SLC16A3 425/4885ALDH1A1 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.