SCHEMBL3557572

SCHEMBL3557572

O=C(O)c1ccccc1CCc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 2/20 0.58
AKR1C3 P42330 1/20 0.58
BCL2 P10415 1/20 0.53
BCL2L1 Q07817 1/20 0.53
MCL1 Q07820 1/20 0.53
BCL2A1 Q16548 1/20 0.53
GGPS1 O95749 1/20 0.50
HTR6 P50406 3/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL3559511 0.89 SLC16A3 (0.66) SLC16A3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3561338 0.89 HTR6 (0.62) SLC16A3ALDH1A1MCL1BCL2A1HTR6
SCHEMBL3552787 0.88 SLC16A3 (0.74) SLC16A3SMN1; SMN2HTTNPSR1MEN1
SCHEMBL3551639 0.87 SLC16A3 (0.59) SLC16A3MEN1KMT2AHTR6
SCHEMBL3554566 0.86 MAPT (0.60) SLC16A3MEN1KMT2AALDH1A1HTR6
SCHEMBL3556527 0.86 ALDH1A1 (0.56) SLC16A3MEN1KMT2AALDH1A1HTR6
SCHEMBL3556257 0.86 SLC16A3 (0.67) SLC16A3MEN1KMT2AALDH1A1HTR6
SCHEMBL3561071 0.85 HTR6 (0.51) SLC16A3MEN1KMT2AMCL1HTR6
SCHEMBL3558965 0.85 CYP19A1 (0.57) SLC16A3HTTMEN1KMT2AALDH1A1
SCHEMBL3559120 0.85 SLC16A3 (0.54) SLC16A3MEN1KMT2AHTR6LMNA

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 425/4885SMN1; SMN2 4522/4885HTT 3739/4885

“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.