SCHEMBL3559360

SCHEMBL3559360

COc1ccc(S(=O)(=O)Nc2ccccc2CCc2ccccc2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
ALDH1A1 P00352 2/20 0.61
TP53 P04637 1/20 0.61
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HDAC3 O15379 2/20 0.59
NCOR2 Q9Y618 2/20 0.59
HDAC1 Q13547 1/20 0.59
KEAP1 Q14145 4/20 0.56
NFE2L2 Q16236 3/20 0.56
KCNA5 P22460 1/20 0.56
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.54
SQSTM1 Q13501 2/20 0.53
HDAC2 Q92769 1/20 0.53
SLC16A3 O15427 4/20 0.53
MEN1 O00255 1/20 0.52
KDM4E B2RXH2 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
SCHEMBL3551774 0.95 LMNA (0.58) LMNAALDH1A1TP53HPGDHTT
SCHEMBL3563777 0.94 LMNA (0.57) LMNAALDH1A1TP53HPGDHTT
SCHEMBL3555853 0.87 KEAP1 (0.56) KEAP1NFE2L2KMT2AGAASLC16A3
SCHEMBL3556581 0.87 SLC16A3 (0.58) ALDH1A1KMT2AGAASLC16A3MEN1
SCHEMBL3561943 0.86 LMNA (0.58) LMNAALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL3560029 0.86 WDR5 (0.59) LMNAALDH1A1TP53HPGDHTT
SCHEMBL2477690 0.86 LMNA (0.70) LMNAALDH1A1TP53HPGDHTT
SCHEMBL30486834 0.86 LMNA (0.70) LMNAALDH1A1TP53HPGDHTT
SCHEMBL3555127 0.85 SLC16A3 (0.53) LMNAALDH1A1TP53HPGDHTT
SCHEMBL3557587 0.85 HDAC3 (0.73) LMNAALDH1A1TP53HPGDHTT

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 LMNA 2120/4885ALDH1A1 61/4885TP53 3590/4885

“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.