SCHEMBL3557763

SCHEMBL3557763

CC(C)(C)c1ccc(C(=O)Nc2ccccc2CCCCCc2ccccc2C(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 10/20 0.78
NR1H4 Q96RI1 6/20 0.64
PPARG P37231 5/20 0.59
PLK1 P53350 3/20 0.56
PLK3 Q9H4B4 3/20 0.56
PPARA Q07869 1/20 0.54

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
SCHEMBL3559571 0.89 SLC16A3 (0.83) SLC16A3PLK1PLK3
SCHEMBL3556329 0.88 SLC16A3 (1.00) SLC16A3PLK1PLK3
SCHEMBL3562667 0.86 SLC16A3 (1.00) SLC16A3NR1H4PLK1PLK3PPARA
SCHEMBL3559776 0.85 SLC16A3 (0.78) SLC16A3PLK1PLK3
SCHEMBL3557714 0.85 SLC16A3 (0.78) SLC16A3PLK1PLK3
SCHEMBL3553212 0.85 SLC16A3 (0.77) SLC16A3PLK1PLK3
SCHEMBL6105957 0.82 NR1H4 (0.78) NR1H4PPARGPPARA
SCHEMBL3562139 0.81 SLC16A3 (0.67) SLC16A3PLK1PLK3
SCHEMBL3559506 0.81 SLC16A3 (1.00) SLC16A3NR1H4PPARGPPARA
SCHEMBL3552467 0.81 HSD17B2 (0.54) SLC16A3

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 425/4885NR1H4 419/4885PPARG 373/4885

“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.