SCHEMBL3562289

SCHEMBL3562289

O=C(O)c1cccc(CCc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
POLB P06746 1/20 0.58
SLC16A3 O15427 2/20 0.56
IDH1 O75874 2/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 1/20 0.54
LMNA P02545 2/20 0.53
IKBKB O14920 1/20 0.53
ERAP1 Q9NZ08 1/20 0.53
GAA P10253 1/20 0.52
HTR6 P50406 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
FFAR1 O14842 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK7 P50613 1/20 0.50

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
SCHEMBL3554311 0.92 SLC16A3 (0.55) MAPTPOLBSLC16A3IDH1KMT2A
SCHEMBL3556854 0.91 MAPT (0.53) MAPTPOLBSLC16A3IDH1KMT2A
SCHEMBL3553439 0.90 GAA (0.62) MAPTPOLBIDH1KMT2AMEN1
SCHEMBL3559169 0.89 IKBKB (0.69) MAPTPOLBSLC16A3KMT2AMEN1
SCHEMBL3558114 0.88 POLB (0.67) MAPTPOLBSLC16A3KMT2AMEN1
SCHEMBL3555622 0.87 SLC16A3 (0.72) MAPTPOLBSLC16A3KMT2AMEN1
SCHEMBL3564095 0.87 MAPT (0.57) MAPTSLC16A3IDH1KMT2AMEN1
SCHEMBL3553555 0.87 HTR6 (0.67) MAPTPOLBSLC16A3KMT2AMEN1
SCHEMBL3561481 0.86 MRGPRX4 (0.57) MAPTPOLBSLC16A3KMT2AMEN1
SCHEMBL3564554 0.86 IKBKB (0.56) MAPTPOLBSLC16A3KMT2AMEN1

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 MAPT 4130/4885POLB 3962/4885SLC16A3 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.