SCHEMBL3563468

SCHEMBL3563468

N#Cc1ccccc1S(=O)(=O)Nc1cccc(CCc2ccccc2C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 4/20 0.49
SLC22A12 Q96S37 2/20 0.48
MCL1 Q07820 1/20 0.46
HSPD1 P10809 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN5 P54829 1/20 0.43
HSPE1 P61604 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
PFKFB3 Q16875 1/20 0.43
BRD1 O95696 1/20 0.42
BRPF1 P55201 1/20 0.42
HTR6 P50406 1/20 0.42
ADRB2 P07550 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 0.88 SLC16A3 (0.54) SLC16A3SLC22A12HSP90AA1HSP90AB1HSD17B1
SCHEMBL3554453 0.88 SLC22A12 (0.48) SLC16A3SLC22A12MCL1HSPD1PTPN2
SCHEMBL3557477 0.85 SLC16A3 (0.50) SLC16A3SLC22A12MCL1HSPD1PTPN2
SCHEMBL3563988 0.85 SLC16A3 (0.67) SLC16A3MCL1ALDH1A1HTTPFKFB3
SCHEMBL3554621 0.84 PTK2B (0.50) SLC16A3KMT2AALDH1A1HTR6ADRB2
SCHEMBL3556555 0.82 SLC16A3 (0.52) SLC16A3SLC22A12KMT2AALDH1A1
SCHEMBL3561338 0.82 HTR6 (0.62) SLC16A3MCL1ALDH1A1PFKFB3HTR6
SCHEMBL3560911 0.81 MEN1 (0.57) SLC16A3SLC22A12MCL1PTPN2PTPN1
SCHEMBL3561556 0.81 SLC16A3 (0.74) SLC16A3KMT2A
SCHEMBL3554864 0.81 SLC16A3 (0.53) SLC16A3SLC22A12HSPD1PTPN2PTPN1

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 1094/4885MCL1 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.