SCHEMBL3553517

SCHEMBL3553517

CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCc3cccc(C(=O)O)c3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
GAA P10253 1/20 0.57
GFER P55789 1/20 0.57
ALDH1A1 P00352 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
POLB P06746 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
SLC16A3 O15427 1/20 0.53
MAPK1 P28482 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL3555189 0.93 LMNA (0.61) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL3560348 0.90 LMNA (0.57) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL3554909 0.90 CA12 (0.60) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL3556522 0.89 SLC16A3 (0.58) MEN1KMT2AGAAALDH1A1CA12
SCHEMBL3555180 0.88 ALDH1A1 (0.57) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL3555334 0.88 KAT6A (0.56) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL3554962 0.88 ALDH1A1 (0.64) MEN1KMT2AGFERALDH1A1CA12
SCHEMBL3552742 0.88 MEN1 (0.63) MEN1KMT2APOLBSLC16A3
SCHEMBL3558523 0.88 CA1 (0.65) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL3555360 0.86 FFAR1 (0.59) MEN1KMT2AALDH1A1POLBSLC16A3

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 4045/4885GAA 1191/4885

“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.