SCHEMBL3557951

SCHEMBL3557951

CCCCCCC(Nc1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(CCCC)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.48
RARB P10826 6/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RARA P10276 1/20 0.45
MAPT P10636 1/20 0.45
MTOR P42345 1/20 0.45
KMT2A Q03164 1/20 0.45
PLK1 P53350 6/20 0.44
PLK3 Q9H4B4 5/20 0.44
EP300 Q09472 1/20 0.42
KAT5 Q92993 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
HAO1 Q9UJM8 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
SCHEMBL3555276 0.96 SLC16A3 (0.47) SLC16A3RARBMEN1ALDH1A1RARA
SCHEMBL3553932 0.94 SLC16A3 (0.46) SLC16A3RARBMEN1ALDH1A1RARA
SCHEMBL3556564 0.94 SLC16A3 (0.47) SLC16A3RARBMEN1ALDH1A1RARA
SCHEMBL3552964 0.94 SLC16A3 (0.46) SLC16A3RARBMEN1ALDH1A1RARA
SCHEMBL3560872 0.88 SLC16A3 (0.50) SLC16A3RARBPLK1PLK3
SCHEMBL3554112 0.88 PDE4A (0.47) SLC16A3MAPTPLK1
SCHEMBL3563442 0.87 SLC16A3 (0.44) SLC16A3RARBMEN1ALDH1A1RARA
SCHEMBL3553579 0.87 SLC16A3 (0.46) SLC16A3RARBMEN1ALDH1A1RARA
SCHEMBL3561601 0.86 SLC16A3 (0.49) SLC16A3MEN1MAPTKMT2A
SCHEMBL3555111 0.86 PLK1 (0.46) SLC16A3RARBMEN1ALDH1A1RARA

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 425/4885RARB 1279/4885MEN1 2548/4885

“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.