SCHEMBL3558892

SCHEMBL3558892

O=C(O)c1ccccc1CCc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
ALDH1A1 P00352 1/20 0.75
BCL2L1 Q07817 1/20 0.56
MCL1 Q07820 1/20 0.56
SLC22A12 Q96S37 6/20 0.55
SLC16A3 O15427 6/20 0.49
SLC40A1 Q9NP59 1/20 0.47
KAT6A Q92794 1/20 0.46
GAA P10253 1/20 0.46
ALKBH2 Q6NS38 1/20 0.44
ALKBH3 Q96Q83 1/20 0.44
FTO Q9C0B1 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
SLC22A11 Q9NSA0 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
SCHEMBL3560873 0.96 MEN1 (0.73) MEN1KMT2AALDH1A1BCL2L1MCL1
SCHEMBL3561751 0.95 MEN1 (0.72) MEN1KMT2AALDH1A1BCL2L1MCL1
SCHEMBL27791538 0.86 ALDH1A1 (1.00) MEN1KMT2AALDH1A1BCL2L1MCL1
SCHEMBL3553632 0.85 SLC16A3 (0.68) MEN1KMT2AALDH1A1BCL2L1MCL1
SCHEMBL3550821 0.85 MEN1 (0.60) MEN1KMT2AALDH1A1BCL2L1MCL1
SCHEMBL3562163 0.85 SLC16A3 (0.71) MEN1KMT2AALDH1A1BCL2L1MCL1
SCHEMBL3558537 0.84 TSHR (0.56) MEN1KMT2AALDH1A1SLC16A3KAT6A
SCHEMBL6541948 0.83 KMT2A (0.80) MEN1KMT2AALDH1A1BCL2L1MCL1
SCHEMBL3554971 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1BCL2L1MCL1
SCHEMBL3560911 0.82 MEN1 (0.57) MEN1KMT2AALDH1A1BCL2L1MCL1

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 4045/4885ALDH1A1 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.