SCHEMBL3561994

SCHEMBL3561994

COc1cccc(S(=O)(=O)Nc2ccccc2CCc2cccc(C(=O)O)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.73
AKR1C3 P42330 3/20 0.61
ABCB1 P08183 2/20 0.58
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
RAB9A P51151 1/20 0.52
ACLY P53396 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
PTK2B Q14289 1/20 0.50

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
SCHEMBL3554726 0.94 SLC16A3 (0.64) SLC16A3AKR1C3ABCB1KEAP1NFE2L2
SCHEMBL3561105 0.91 SLC16A3 (0.76) SLC16A3AKR1C3ABCB1KEAP1NFE2L2
SCHEMBL3561861 0.91 SLC16A3 (0.70) SLC16A3AKR1C3ABCB1KEAP1NFE2L2
SCHEMBL3552744 0.88 SLC16A3 (0.85) SLC16A3AKR1C3RAB9AKDM4ETSHR
SCHEMBL3555853 0.87 KEAP1 (0.56) SLC16A3AKR1C3KEAP1NFE2L2
SCHEMBL3561649 0.87 SLC16A3 (0.73) SLC16A3KEAP1NFE2L2RAB9AACLY
SCHEMBL3556199 0.86 SLC16A3 (0.74) SLC16A3AKR1C3RAB9AKDM4ETSHR
SCHEMBL3558727 0.85 SLC16A3 (0.76) SLC16A3ABCB1KDM4ETSHR
SCHEMBL3562818 0.85 AKR1C3 (0.66) SLC16A3AKR1C3HDAC3HDAC1
SCHEMBL3560916 0.85 SLC16A3 (0.62) SLC16A3AKR1C3KEAP1NFE2L2HDAC3

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 425/4885AKR1C3 23/4885ABCB1 182/4885

“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.