SCHEMBL3557789

SCHEMBL3557789

CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccccc2CCCc2ccccc2C(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.46
RORC P51449 1/20 0.46
RORB Q92753 1/20 0.46
SLC16A3 O15427 10/20 0.45
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
GRM4 Q14833 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3561417 0.96 RORA (0.48) RORARORCRORBSLC16A3PIK3CD
SCHEMBL3558193 0.88 SLC16A3 (0.50) RORARORCRORBSLC16A3PIK3CD
SCHEMBL3552051 0.87 SLC16A3 (0.53) RORARORCRORBSLC16A3PIK3CD
SCHEMBL3560012 0.84 RORA (0.55) RORARORCRORBPIK3CDPIK3CA
SCHEMBL3561014 0.84 SLC16A3 (0.54) RORARORCRORBSLC16A3PIK3CD
SCHEMBL3566136 0.83 SLC16A3 (0.57) RORARORCRORBSLC16A3PIK3CD
SCHEMBL3563816 0.81 RORA (0.48) RORARORCRORBPIK3CDPIK3CA
SCHEMBL6823767 0.77 RORA (0.54) RORARORCRORBPIK3CDPIK3CA
SCHEMBL3560826 0.77 BDKRB1 (0.61)
SCHEMBL3555037 0.74 ALDH1A1 (0.57) SLC16A3ALDH1A1HPGDHSD17B10

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 RORA 1899/4885RORC 2047/4885RORB 1769/4885

“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.