SCHEMBL3558698

SCHEMBL3558698

CCCCCCC(Nc1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1sc(NC(C)=O)nc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.39
SCD O00767 3/20 0.38
PLK1 P53350 3/20 0.37
PLK3 Q9H4B4 3/20 0.37
GRM4 Q14833 4/20 0.35
RARB P10826 4/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RARA P10276 1/20 0.35
MAPT P10636 1/20 0.35
MTOR P42345 1/20 0.35
KMT2A Q03164 1/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35

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
SCHEMBL3553925 0.94 SLC16A3 (0.40) SLC16A3SCDGRM4BCL2BCL2L1
SCHEMBL3555276 0.81 SLC16A3 (0.47) SLC16A3PLK1PLK3RARBMEN1
SCHEMBL3561014 0.81 SLC16A3 (0.54) SLC16A3GRM4BCL2BCL2L1
SCHEMBL3553932 0.80 SLC16A3 (0.46) SLC16A3PLK1PLK3RARBMEN1
SCHEMBL3557951 0.80 SLC16A3 (0.48) SLC16A3PLK1PLK3RARBMEN1
SCHEMBL3558694 0.79 ALOX5 (0.40) PLK1PLK3GRM4RARBMEN1
SCHEMBL3558700 0.78 GRM4 (0.40) SLC16A3SCDGRM4KMT2ABCL2
SCHEMBL3553579 0.78 SLC16A3 (0.46) SLC16A3PLK1PLK3RARBMEN1
SCHEMBL3561330 0.78 SLC16A3 (0.42) SLC16A3PLK1PLK3RARBALDH1A1
SCHEMBL3555111 0.78 PLK1 (0.46) SLC16A3PLK1PLK3RARBMEN1

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 425/4885SCD 365/4885PLK1 4876/4885

“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.