SCHEMBL3558121

SCHEMBL3558121

O=C(O)c1ccc(OCCOc2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GAA P10253 1/20 0.59
ACLY P53396 1/20 0.52
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
AR P10275 1/20 0.51
ESR2 Q92731 1/20 0.51
NR4A2 P43354 1/20 0.50
CACNA1H O95180 1/20 0.48
CACNA1B Q00975 1/20 0.48
SLC40A1 Q9NP59 1/20 0.47
CLK1 P49759 1/20 0.46
SLC16A3 O15427 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KAT6A Q92794 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL3554430 0.92 CACNA1H (0.50) MEN1KMT2AGAAACLYAR
SCHEMBL3559755 0.89 CACNA1H (0.61) MEN1KMT2AACLYARCACNA1H
SCHEMBL3553979 0.87 PGR (0.48) MEN1KMT2APGRNR4A2CACNA1H
SCHEMBL3562573 0.87 AR (0.65) MEN1KMT2AGAANR3C1PGR
SCHEMBL3554494 0.86 PKM (0.56) MEN1KMT2ACACNA1HCACNA1BSLC16A3
SCHEMBL3562684 0.85 SLC16A3 (0.50) MEN1KMT2ACACNA1HCACNA1BSLC16A3
Benzene SCHEMBL5164915 0.84 KMT2A (0.43) MEN1KMT2AGAAACLYCACNA1H
SCHEMBL3554984 0.84 PKM (0.56) GAACACNA1HCACNA1BSLC16A3KDM4E
SCHEMBL3560287 0.84 SLC16A3 (0.64) MEN1KMT2AACLYPGRCACNA1H
SCHEMBL3554542 0.83 CACNA1H (0.48) GAACACNA1HCACNA1BSLC16A3KDM4E

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.