SCHEMBL3563348

SCHEMBL3563348

O=C(O)c1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
WDR5 P61964 1/20 0.54
GFER P55789 1/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 1/20 0.52
FABP4 P15090 1/20 0.52
LIMK2 P53671 1/20 0.52
PKM P14618 3/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
AR P10275 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
RECQL P46063 1/20 0.50
CACNA1B Q00975 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTK2B Q14289 1/20 0.49

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
SCHEMBL3558986 0.93 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL3560745 0.92 CA12 (0.58) ALDH1A1WDR5GFERKMT2AMEN1
SCHEMBL3559135 0.91 AR (0.62) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL3564010 0.91 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL3559276 0.90 AR (0.61) ALDH1A1GFERKMT2AMEN1MAPT
SCHEMBL3563689 0.90 AR (0.61) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL3562134 0.90 SMN1; SMN2 (0.63) ALDH1A1WDR5KMT2AMEN1MAPT
SCHEMBL3561723 0.90 PGR (0.57) ALDH1A1KMT2AMEN1MAPTLIMK2
SCHEMBL3565129 0.88 MEN1 (0.55) ALDH1A1KMT2AMEN1MAPTLIMK2
SCHEMBL3563809 0.88 MEN1 (0.62) WDR5GFERKMT2AMEN1MAPT

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 61/4885WDR5 1795/4885GFER 343/4885

“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.