SCHEMBL3563336

SCHEMBL3563336

O=C(Nc1ccccc1CCCCCc1ccccc1C(=O)O)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 10/20 0.60
NTRK1 P04629 2/20 0.54
TRPV1 Q8NER1 1/20 0.50
GPR27 Q9NS67 1/20 0.47
PLK1 P53350 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
RXFP1 Q9HBX9 2/20 0.46
PPARG P37231 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43

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
SCHEMBL3557242 0.85 SLC16A3 (0.73) SLC16A3
SCHEMBL3559656 0.80 SLC16A3 (0.69) SLC16A3PLK1RXFP1
SCHEMBL3559571 0.79 SLC16A3 (0.83) SLC16A3PLK1
SCHEMBL3559776 0.78 SLC16A3 (0.78) SLC16A3PLK1KDM4E
SCHEMBL3555922 0.78 SLC16A3 (0.69) SLC16A3PLK1
SCHEMBL3557763 0.77 SLC16A3 (0.78) SLC16A3PLK1PPARGNR1H4
SCHEMBL3564050 0.76 SLC16A3 (1.00) SLC16A3PLK1HPGD
SCHEMBL3564066 0.76 SLC16A3 (1.00) SLC16A3PLK1KDM4EHPGD
SCHEMBL3561433 0.74 ACLY (0.56) SLC16A3KDM4E
SCHEMBL3556329 0.74 SLC16A3 (1.00) SLC16A3PLK1

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 425/4885NTRK1 4779/4885TRPV1 2676/4885

“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.