SCHEMBL3554453

SCHEMBL3554453

N#Cc1ccccc1S(=O)(=O)Nc1ccc(CCc2ccccc2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.48
SLC16A3 O15427 2/20 0.46
HSPD1 P10809 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN5 P54829 1/20 0.45
HSPE1 P61604 1/20 0.45
MCL1 Q07820 1/20 0.45
BRS3 P32247 1/20 0.43
KAT6A Q92794 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
KMT2A Q03164 1/20 0.43
BRD1 O95696 1/20 0.42
BRPF1 P55201 1/20 0.42
ADRB2 P07550 1/20 0.41
TSHR P16473 1/20 0.41
CFTR P13569 1/20 0.41

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
SCHEMBL3563468 0.88 SLC16A3 (0.49) SLC22A12SLC16A3HSPD1PTPN2PTPN1
SCHEMBL3555752 0.86 TSHR (0.56) SLC22A12SLC16A3HSPD1PTPN2PTPN1
SCHEMBL3556555 0.85 SLC16A3 (0.52) SLC22A12SLC16A3KAT6AALDH1A1POLB
SCHEMBL3554864 0.83 SLC16A3 (0.53) SLC22A12SLC16A3HSPD1PTPN2PTPN1
SCHEMBL3562058 0.83 SLC16A3 (0.66) SLC16A3PTPN2PTPN1PTPN5MCL1
SCHEMBL3559119 0.83 PTK2B (0.50) SLC16A3PTPN2PTPN1PTPN5KAT6A
SCHEMBL3556577 0.81 HDAC1 (0.60) MCL1ALDH1A1POLBKMT2AHDAC4
SCHEMBL3563137 0.80 SLC16A3 (0.71) SLC22A12SLC16A3HDAC1
SCHEMBL3550821 0.80 MEN1 (0.60) SLC22A12HSPD1PTPN2PTPN1PTPN5
SCHEMBL3555679 0.79 AR (0.55) HSPD1PTPN2PTPN1PTPN5HSPE1

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 SLC22A12 1094/4885SLC16A3 425/4885HSPD1 2122/4885

“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.