SCHEMBL3565086

SCHEMBL3565086

O=C(O)c1ccccc1CCCCCc1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 10/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ELANE P08246 1/20 0.45
PRTN3 P24158 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 2/20 0.44
CCR9 P51686 1/20 0.44
NPC1 O15118 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3558458 0.97 SLC16A3 (0.48) SLC16A3KDM4EALDH1A1ELANEPRTN3
SCHEMBL3555127 0.95 SLC16A3 (0.53) SLC16A3KDM4EALDH1A1ELANEPRTN3
SCHEMBL3561433 0.86 ACLY (0.56) SLC16A3KDM4EALDH1A1LMNAHTT
SCHEMBL3563777 0.86 LMNA (0.57) SLC16A3KDM4EALDH1A1LMNAHTT
SCHEMBL3562322 0.85 SLC16A3 (0.56) SLC16A3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3554689 0.85 SLC16A3 (0.64) SLC16A3KDM4EALDH1A1MEN1KMT2A
SCHEMBL15821484 0.84 ALDH1A1 (0.59) KDM4EALDH1A1ELANEPRTN3LMNA
SCHEMBL3557128 0.84 MEN1 (0.49) SLC16A3ALDH1A1MEN1KMT2A
SCHEMBL3554032 0.84 SLC16A3 (0.59) SLC16A3
SCHEMBL3552696 0.83 WDR5 (0.57) SLC16A3KDM4EALDH1A1ELANEPRTN3

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 SLC16A3 425/4885KDM4E 1045/4885ALDH1A1 61/4885

“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.