SCHEMBL3554311

SCHEMBL3554311

O=C(O)c1cccc(CCc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.55
AR P10275 1/20 0.55
MAPT P10636 3/20 0.54
IDH1 O75874 1/20 0.52
POLB P06746 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
SERPINE1 P05121 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 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
SCHEMBL3562289 0.92 MAPT (0.61) SLC16A3ARMAPTIDH1POLB
SCHEMBL3564979 0.91 SERPINE1 (0.51) SLC16A3ARMAPTIDH1POLB
SCHEMBL3557078 0.90 NR3C1 (0.56) SLC16A3ARMAPTIDH1HDAC1
SCHEMBL3556254 0.89 IKBKB (0.58) SLC16A3MAPTPOLBHDAC3HDAC11
SCHEMBL3556522 0.88 SLC16A3 (0.58) SLC16A3MAPTPOLBHDAC4HDAC1
SCHEMBL3558002 0.88 HDAC3 (0.60) ARMAPTHDAC3HDAC4HDAC1
SCHEMBL3562814 0.87 SLC16A3 (0.71) SLC16A3ARPOLBMEN1KMT2A
SCHEMBL3552742 0.87 MEN1 (0.63) SLC16A3POLBHDAC4HDAC1HDAC8
SCHEMBL3558899 0.86 MRGPRX4 (0.56) SLC16A3ARPOLBHDAC3HDAC4
SCHEMBL3553324 0.86 SLC16A3 (0.50) SLC16A3MAPTPOLBHDAC3HDAC11

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 425/4885AR 3412/4885MAPT 4130/4885

“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.