SCHEMBL3558754

SCHEMBL3558754

O=C(O)c1ccc(CCc2ccccc2NS(=O)(=O)/C=C/c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
SLC16A3 O15427 8/20 0.56
PTGES2 Q9H7Z7 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RRM1 P23921 1/20 0.42
PKM P14618 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
SCHEMBL3558757 1.00 KMT2A (0.61) KMT2ASLC16A3PTGES2ALDH1A1HTT
SCHEMBL3562733 0.93 KMT2A (0.58) KMT2ASLC16A3PTGES2ALDH1A1HTT
SCHEMBL3562729 0.93 KMT2A (0.58) KMT2ASLC16A3PTGES2ALDH1A1HTT
SCHEMBL3563133 0.87 SLC16A3 (0.61) KMT2ASLC16A3PTGES2ALDH1A1HTT
SCHEMBL3563131 0.87 SLC16A3 (0.61) KMT2ASLC16A3PTGES2ALDH1A1HTT
SCHEMBL3560669 0.85 KMT2A (0.84) KMT2APTGES2ALDH1A1HTTGAA
SCHEMBL3560667 0.85 KMT2A (0.84) KMT2APTGES2ALDH1A1HTTGAA
SCHEMBL3553052 0.84 KMT2A (0.52) KMT2ASLC16A3PTGES2ALDH1A1HTT
SCHEMBL3553050 0.84 KMT2A (0.52) KMT2ASLC16A3PTGES2ALDH1A1HTT
SCHEMBL3558891 0.81 SLC16A3 (0.55) KMT2ASLC16A3PTGES2ALDH1A1HTT

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 KMT2A 4045/4885SLC16A3 425/4885PTGES2 248/4885

“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.