SCHEMBL3562001

SCHEMBL3562001

O=C(Cc1ccccc1)Nc1ccccc1OCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
PKM P14618 2/20 0.56
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
HPGD P15428 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SRD5A2 P31213 1/20 0.47
PLA2G4B P0C869 1/20 0.46
MAPT P10636 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL3562359 0.92 NR4A2 (0.51) GAAPKMALDH1A1KMT2ASMN1; SMN2
SCHEMBL3556661 0.86 L3MBTL1 (0.65) PKMALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL3561506 0.86 NR4A1 (0.52) GAAPKMALDH1A1SMN1; SMN2LMNA
SCHEMBL3557480 0.85 CYP2C19 (0.62) GAAPKMALDH1A1KMT2ASMN1; SMN2
SCHEMBL3557542 0.84 GAA (0.56) GAAPKMALDH1A1KMT2ASMN1; SMN2
SCHEMBL3555523 0.84 TSHR (0.56) GAAPKMALDH1A1KMT2ASMN1; SMN2
SCHEMBL3559976 0.83 PKM (0.60) GAAPKMKMT2ASMN1; SMN2LMNA
SCHEMBL3556618 0.83 POLB (0.62) GAAPKMALDH1A1KMT2ASMN1; SMN2
SCHEMBL3557828 0.83 PKM (0.54) GAAPKMALDH1A1SMN1; SMN2LMNA
SCHEMBL3559044 0.82 POLB (0.62) GAAPKMALDH1A1KMT2ASMN1; 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 GAA 1191/4885PKM 990/4885ALDH1A1 61/4885

“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.