SCHEMBL3557477

SCHEMBL3557477

N#Cc1ccccc1S(=O)(=O)Nc1cccc(CCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 4/20 0.50
SLC22A12 Q96S37 2/20 0.50
TSHR P16473 1/20 0.48
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
KMT2A Q03164 1/20 0.44
IDH1 O75874 2/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
PTK2B Q14289 1/20 0.44
HTR6 P50406 1/20 0.44
BRD1 O95696 1/20 0.43
BRPF1 P55201 1/20 0.43
FABP4 P15090 1/20 0.43
MCL1 Q07820 1/20 0.43
HSPD1 P10809 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42
HSPE1 P61604 1/20 0.42

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
SCHEMBL3557911 0.92 SLC16A3 (0.54) SLC16A3SLC22A12HSP90AA1HSP90AB1KMT2A
SCHEMBL3555752 0.90 TSHR (0.56) SLC16A3SLC22A12TSHRHSP90AA1HSP90AB1
SCHEMBL3554864 0.89 SLC16A3 (0.53) SLC16A3SLC22A12TSHRHSP90AA1HSP90AB1
SCHEMBL3563468 0.85 SLC16A3 (0.49) SLC16A3SLC22A12HSP90AA1HSP90AB1KMT2A
SCHEMBL3558846 0.84 TSHR (0.70) SLC16A3TSHRFABP4
SCHEMBL3563292 0.83 PTK2B (0.58) SLC16A3TSHRKMT2AIDH1HSD17B1
SCHEMBL3563137 0.81 SLC16A3 (0.71) SLC16A3SLC22A12
SCHEMBL3555628 0.81 HTR6 (0.65) SLC16A3KMT2AHTR6
SCHEMBL3562430 0.80 IDH1 (0.53) SLC16A3SLC22A12TSHRKMT2AIDH1
SCHEMBL3555871 0.80 POLB (0.60) SLC16A3KMT2AHTR6

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 425/4885SLC22A12 1094/4885TSHR 3483/4885

“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.