SCHEMBL3556961

SCHEMBL3556961

O=C(O)c1cccc(CCc2cccc(NS(=O)(=O)CC(F)(F)F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.47
POLB P06746 1/20 0.44
FOLH1 Q04609 1/20 0.42
IDH1 O75874 2/20 0.41
AKR1C3 P42330 2/20 0.41
HIF1A Q16665 1/20 0.41
PFKFB3 Q16875 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
AKR1C2 P52895 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL3554342 0.84 LMNA (0.51) SLC16A3POLBFOLH1AKR1C3HIF1A
SCHEMBL3560661 0.83 HPGD (0.53) SLC16A3POLBAKR1C3HIF1APFKFB3
SCHEMBL3557388 0.80 ALDH1A1 (0.57) SLC16A3POLBFOLH1AKR1C3HIF1A
SCHEMBL3558954 0.80 MEP1B (0.46) SLC16A3POLBFOLH1AKR1C3HIF1A
SCHEMBL3554833 0.79 AR (0.47) SLC16A3POLB
SCHEMBL3562289 0.79 MAPT (0.61) SLC16A3POLBIDH1KMT2ANPSR1
SCHEMBL3556854 0.79 MAPT (0.53) SLC16A3POLBIDH1AKR1C3PFKFB3
SCHEMBL3553555 0.78 HTR6 (0.67) SLC16A3POLBAKR1C3PFKFB3KMT2A
SCHEMBL3556993 0.78 SLC22A12 (0.54) SLC16A3IDH1KMT2AALDH1A1MRGPRX4
SCHEMBL3553439 0.78 GAA (0.62) POLBIDH1PFKFB3HSD17B2KMT2A

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 425/4885POLB 3962/4885FOLH1 1283/4885

“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.