SCHEMBL3560012

SCHEMBL3560012

CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(CCc3ccccc3C(=O)O)cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.55
RORC P51449 1/20 0.55
RORB Q92753 1/20 0.55
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIK3CD O00329 3/20 0.41
PIK3CG P48736 3/20 0.41
PIK3C3 Q8NEB9 2/20 0.41
ALDH1A1 P00352 2/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRM4 Q14833 4/20 0.39
PFKFB3 Q16875 1/20 0.39
KDR P35968 1/20 0.39
OPRL1 P41146 2/20 0.39
ADRB2 P07550 1/20 0.38

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
SCHEMBL3563816 0.90 RORA (0.48) RORARORCRORBKDM4ELMNA
SCHEMBL3561417 0.87 RORA (0.48) RORARORCRORBPIK3CDPIK3CG
SCHEMBL3556136 0.86 RORA (0.60) RORARORCRORBPIK3CDPIK3CG
SCHEMBL3554539 0.85 RORA (0.55) RORARORCRORBPIK3CDPIK3CG
SCHEMBL3557789 0.84 RORA (0.46) RORARORCRORBPIK3CDPIK3CG
SCHEMBL3561014 0.83 SLC16A3 (0.54) RORARORCRORBPIK3CDPIK3CG
SCHEMBL3556697 0.79 RORA (0.50) RORARORCRORBPIK3CDPIK3CG
SCHEMBL3555884 0.79 RORA (0.52) RORARORCRORBKDM4ELMNA
SCHEMBL3566136 0.79 SLC16A3 (0.57) RORARORCRORBPIK3CDPIK3CG
SCHEMBL3555641 0.79 KDM4E (0.61) KDM4ELMNASMN1; SMN2ALDH1A1MEN1

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.