SCHEMBL3555111

SCHEMBL3555111

CCCCCCC(Nc1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 7/20 0.46
PLK3 Q9H4B4 6/20 0.46
SLC16A3 O15427 4/20 0.43
RARB P10826 6/20 0.40
EP300 Q09472 1/20 0.40
KAT5 Q92993 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RARA P10276 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3553579 0.92 SLC16A3 (0.46) PLK1PLK3SLC16A3RARBMEN1
SCHEMBL3555276 0.88 SLC16A3 (0.47) PLK1PLK3SLC16A3RARBEP300
SCHEMBL3556564 0.87 SLC16A3 (0.47) PLK1PLK3SLC16A3RARBMEN1
SCHEMBL3563442 0.87 SLC16A3 (0.44) PLK1PLK3SLC16A3RARBEP300
SCHEMBL3558209 0.87 SLC16A3 (0.44) PLK1PLK3SLC16A3RARBMEN1
SCHEMBL3557951 0.86 SLC16A3 (0.48) PLK1PLK3SLC16A3RARBEP300
SCHEMBL3553932 0.84 SLC16A3 (0.46) PLK1PLK3SLC16A3RARBEP300
SCHEMBL3554954 0.84 SLC16A3 (0.54) PLK1PLK3SLC16A3RARBMEN1
SCHEMBL3552964 0.84 SLC16A3 (0.46) PLK1PLK3SLC16A3RARBMEN1
SCHEMBL3561330 0.82 SLC16A3 (0.42) PLK1PLK3SLC16A3RARBALDH1A1

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 PLK1 4876/4885PLK3 3999/4885SLC16A3 425/4885

“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.