SCHEMBL3560665

SCHEMBL3560665

O=C(O)c1cccc(CCc2ccc(NS(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)cs3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
AKR1C3 P42330 2/20 0.47
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC4 P56524 1/20 0.45
SLC16A3 O15427 2/20 0.45
GFER P55789 1/20 0.43
RAB9A P51151 1/20 0.42
PGR P06401 1/20 0.42
PFKFB3 Q16875 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL3556918 0.93 HTR6 (0.48) MEN1KMT2AAKR1C3SLC16A3PFKFB3
SCHEMBL3555558 0.92 HDAC1 (0.48) MEN1KMT2AHDAC1HDAC8HDAC4
SCHEMBL3562949 0.90 HTR6 (0.47) KMT2AAKR1C3PFKFB3THRB
SCHEMBL3556902 0.88 MEN1 (0.51) MEN1KMT2AAKR1C3HDAC1HDAC8
SCHEMBL3561549 0.86 SLC16A3 (0.63) MEN1KMT2AAKR1C3SLC16A3RAB9A
SCHEMBL3557484 0.86 HDAC1 (0.45) MEN1KMT2AHDAC1HDAC8HDAC4
SCHEMBL3552742 0.83 MEN1 (0.63) MEN1KMT2AAKR1C3HDAC1HDAC8
SCHEMBL3563249 0.82 SLC16A3 (0.56) MEN1KMT2AAKR1C3SLC16A3RAB9A
SCHEMBL3563480 0.82 HTR6 (0.46) SLC16A3THRB
SCHEMBL3556908 0.81 MEN1 (0.48) MEN1KMT2AAKR1C3HDAC1HDAC8

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 MEN1 2548/4885KMT2A 4045/4885AKR1C3 23/4885

“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.