SCHEMBL3553780

SCHEMBL3553780

O=C(O)c1cccc(CCCc2ccccc2NS(=O)(=O)c2cccs2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.59
MCL1 Q07820 1/20 0.51
BCL2A1 Q16548 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 2/20 0.45
BCHE P06276 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
LIMK2 P53671 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
SCHEMBL3560301 0.94 SLC16A3 (0.66) SLC16A3MCL1BCL2A1MEN1KMT2A
SCHEMBL3556477 0.88 SLC16A3 (0.56) SLC16A3MCL1BCL2A1MEN1KMT2A
SCHEMBL3557013 0.85 SLC16A3 (0.74) SLC16A3MEN1KMT2A
SCHEMBL3563249 0.83 SLC16A3 (0.56) SLC16A3MEN1KMT2A
SCHEMBL3557616 0.83 SLC16A3 (0.57) SLC16A3MEN1KMT2AHTTLMNA
SCHEMBL3560155 0.81 MCL1 (0.53) SLC16A3MCL1BCL2A1MEN1KMT2A
SCHEMBL3557796 0.81 SLC16A3 (0.61) SLC16A3MCL1BCL2A1MEN1KMT2A
SCHEMBL3560711 0.81 SLC16A3 (0.61) SLC16A3KMT2A
Benzene SCHEMBL3553377 0.81 SLC16A3 (0.61) SLC16A3KMT2A
SCHEMBL3561067 0.81 SLC16A3 (0.67) SLC16A3

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 425/4885MCL1 4304/4885BCL2A1 465/4885

“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.