SCHEMBL3556624

SCHEMBL3556624

O=C(O)c1ccc(OCCOc2ccccc2NS(=O)(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
RAD52 P43351 1/20 0.47
WDR5 P61964 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PLK1 P53350 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
MCL1 Q07820 1/20 0.43
BCL2A1 Q16548 1/20 0.43
CCR1 P32246 1/20 0.43

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
SCHEMBL3565992 0.88 PKM (0.50) PKMKMT2AMEN1RAD52SMN1; SMN2
SCHEMBL3554984 0.86 PKM (0.56) PKMWDR5MCL1BCL2A1CCR1
SCHEMBL3554494 0.86 PKM (0.56) PKMKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3563478 0.86 SLC16A3 (0.60) ALDH1A1PKMKMT2AMEN1RAD52
SCHEMBL3558200 0.85 SLC16A3 (0.48) PKMRAD52
SCHEMBL3558810 0.85 MRGPRX1 (0.51) ALDH1A1PKMKMT2AMEN1RAD52
SCHEMBL3563709 0.85 MEN1 (0.57) ALDH1A1PKMKMT2AMEN1RAD52
SCHEMBL3550518 0.84 AR (0.53) ALDH1A1PKMKMT2AMEN1RAD52
SCHEMBL3552423 0.83 PIK3CA (0.50) PKMRAD52SMN1; SMN2PTK2B
SCHEMBL3553044 0.82 ALDH1A1 (0.62) ALDH1A1PKMKMT2AMEN1SMN1; SMN2

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 ALDH1A1 61/4885PKM 990/4885KMT2A 4045/4885

“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.