SCHEMBL3553446

SCHEMBL3553446

O=C(O)c1ccccc1CCCCCc1ccccc1NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 13/20 0.68
KCNA5 P22460 1/20 0.53
MCL1 Q07820 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
PFKFB3 Q16875 1/20 0.52
TSHR P16473 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 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
SCHEMBL3558973 0.96 SLC16A3 (0.69) SLC16A3KCNA5MCL1ALDH1A1HTT
SCHEMBL3561833 0.95 SLC16A3 (0.74) SLC16A3KCNA5MCL1ALDH1A1HTT
SCHEMBL3552944 0.88 SLC16A3 (0.56) SLC16A3ALDH1A1MEN1KMT2A
SCHEMBL3554501 0.86 BCL2 (0.52) SLC16A3MCL1TSHR
SCHEMBL6181264 0.84 ALDH1A1 (0.62) SLC16A3KCNA5MCL1ALDH1A1HTT
SCHEMBL3560435 0.84 BCL2 (0.52) SLC16A3MCL1TSHR
SCHEMBL3561152 0.84 MMP2 (0.59) SLC16A3KCNA5ALDH1A1MEN1KMT2A
SCHEMBL3557144 0.83 TSHR (0.54) SLC16A3ALDH1A1TSHRMEN1KMT2A
SCHEMBL3562322 0.83 SLC16A3 (0.56) SLC16A3ALDH1A1TSHRMEN1KMT2A
SCHEMBL3559309 0.82 SLC16A3 (0.90) SLC16A3MCL1ALDH1A1HTTPFKFB3

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 425/4885KCNA5 2930/4885MCL1 4304/4885

“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.