SCHEMBL3551901

SCHEMBL3551901

O=C(O)c1ccc(CCCc2ccccc2NS(=O)(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.89

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 11/20 0.89
TSHR P16473 1/20 0.61
KMT2A Q03164 1/20 0.47
KCNA5 P22460 1/20 0.46
MCL1 Q07820 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
PFKFB3 Q16875 1/20 0.45
PTGER1 P34995 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45

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
SCHEMBL3558667 0.94 SLC16A3 (1.00) SLC16A3TSHRKMT2AKCNA5MCL1
SCHEMBL3559309 0.89 SLC16A3 (0.90) SLC16A3TSHRKMT2AMCL1ALDH1A1
SCHEMBL3560453 0.86 SLC16A3 (0.67) SLC16A3TSHRMCL1
SCHEMBL3558973 0.85 SLC16A3 (0.69) SLC16A3TSHRKMT2AKCNA5MCL1
SCHEMBL3556525 0.84 SLC16A3 (0.64) SLC16A3TSHRPTGER1PTGER4PTGER3
SCHEMBL3557081 0.83 SLC16A3 (0.66) SLC16A3ALDH1A1PTGER1PTGER4PTGER3
SCHEMBL3556313 0.83 SLC16A3 (0.64) SLC16A3PTGER1PTGER4PTGER3PTGER2
SCHEMBL3555905 0.83 SLC16A3 (1.00) SLC16A3TSHRKMT2AMCL1ALDH1A1
SCHEMBL3559856 0.82 TSHR (0.85) SLC16A3TSHRALDH1A1HTTPFKFB3
SCHEMBL3553446 0.82 SLC16A3 (0.68) SLC16A3TSHRKMT2AKCNA5MCL1

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 425/4885TSHR 3483/4885KMT2A 4045/4885

“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.