SCHEMBL3552742

SCHEMBL3552742

O=C(O)c1cccc(CCc2ccc(NS(=O)(=O)c3ccccc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
SLC16A3 O15427 2/20 0.60
HDAC1 Q13547 4/20 0.59
HDAC8 Q9BY41 3/20 0.59
AKR1C3 P42330 2/20 0.59
HDAC4 P56524 1/20 0.59
HTR6 P50406 3/20 0.58
POLB P06746 1/20 0.56
PFKFB3 Q16875 1/20 0.55

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
SCHEMBL3556522 0.94 SLC16A3 (0.58) MEN1KMT2ASLC16A3HDAC1HDAC8
SCHEMBL3553555 0.91 HTR6 (0.67) MEN1KMT2ASLC16A3AKR1C3HTR6
SCHEMBL3555334 0.90 KAT6A (0.56) MEN1KMT2ASLC16A3POLB
SCHEMBL3555180 0.90 ALDH1A1 (0.57) MEN1KMT2ASLC16A3HDAC1HDAC8
SCHEMBL3554962 0.90 ALDH1A1 (0.64) MEN1KMT2ASLC16A3AKR1C3POLB
SCHEMBL3557363 0.90 PRMT1 (0.59) MEN1KMT2ASLC16A3AKR1C3POLB
SCHEMBL3562814 0.90 SLC16A3 (0.71) MEN1KMT2ASLC16A3POLB
SCHEMBL3554909 0.89 CA12 (0.60) MEN1KMT2ASLC16A3POLB
SCHEMBL3561276 0.89 AKR1C3 (0.63) MEN1KMT2ASLC16A3HDAC1HDAC8
SCHEMBL3556207 0.89 MEN1 (0.57) MEN1KMT2ASLC16A3HDAC1HDAC8

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 4045/4885SLC16A3 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.