SCHEMBL3553743

SCHEMBL3553743

O=C(O)c1ccccc1CCCCCc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.72
GAA P10253 1/20 0.72
KMT2A Q03164 1/20 0.72
ACLY P53396 2/20 0.60
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
SLC16A3 O15427 6/20 0.48
ALDH1A1 P00352 1/20 0.47
SLC40A1 Q9NP59 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
CLK1 P49759 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.46

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
SCHEMBL3553504 0.97 MEN1 (0.73) MEN1GAAKMT2AACLYLMNA
SCHEMBL3561433 0.88 ACLY (0.56) MEN1GAAKMT2AACLYLMNA
SCHEMBL3562298 0.86 MEN1 (0.62) MEN1GAAKMT2AACLYSLC16A3
SCHEMBL3562322 0.85 SLC16A3 (0.56) MEN1KMT2AKDM4ESLC16A3ALDH1A1
SCHEMBL3562402 0.85 SLC16A3 (0.63) MEN1GAAKMT2AACLYLMNA
SCHEMBL3564034 0.84 SLC16A3 (0.55) MEN1GAAKMT2ALMNAKDM4E
SCHEMBL3557971 0.84 MEN1 (0.60) MEN1GAAKMT2AACLYLMNA
SCHEMBL3556385 0.83 SLC16A3 (0.56) MEN1GAAKMT2AKDM4ESLC16A3
SCHEMBL3553475 0.82 SLC16A3 (0.71) MEN1GAAKMT2AACLYLMNA
SCHEMBL3564184 0.82 ACLY (0.60) MEN1GAAKMT2AACLYLMNA

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 2548/4885GAA 1191/4885KMT2A 4045/4885

“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.