SCHEMBL3555752

SCHEMBL3555752

N#Cc1ccccc1S(=O)(=O)Nc1ccc(CCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
SLC22A12 Q96S37 2/20 0.52
SLC16A3 O15427 2/20 0.52
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
HSPD1 P10809 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN5 P54829 1/20 0.46
HSPE1 P61604 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
FABP4 P15090 1/20 0.46
SGK1 O00141 1/20 0.45
PTK2B Q14289 1/20 0.45
BRD1 O95696 1/20 0.45
BRPF1 P55201 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
SCHEMBL3554864 0.90 SLC16A3 (0.53) TSHRSLC22A12SLC16A3HSPD1PTPN2
SCHEMBL3557477 0.90 SLC16A3 (0.50) TSHRSLC22A12SLC16A3HSPD1PTPN2
SCHEMBL3563137 0.86 SLC16A3 (0.71) SLC22A12SLC16A3
SCHEMBL3554453 0.86 SLC22A12 (0.48) TSHRSLC22A12SLC16A3ALDH1A1POLB
SCHEMBL3553957 0.85 TSHR (0.53) TSHRSLC22A12SLC16A3HSPD1PTPN2
SCHEMBL3556313 0.83 SLC16A3 (0.64) SLC22A12SLC16A3
SCHEMBL3559856 0.81 TSHR (0.85) TSHRSLC16A3ALDH1A1HTTGAA
SCHEMBL3557911 0.81 SLC16A3 (0.54) SLC22A12SLC16A3POLBHSP90AA1HSP90AB1
SCHEMBL3557447 0.81 PTK2B (0.61) TSHRSLC16A3ALDH1A1POLBHTT
SCHEMBL3563796 0.79 HDAC1 (0.66) ALDH1A1POLBKMT2A

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 TSHR 3483/4885SLC22A12 1094/4885SLC16A3 425/4885

“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.