SCHEMBL3557542

SCHEMBL3557542

CCCC(=O)Nc1ccccc1OCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
PKM P14618 1/20 0.55
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 2/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MTNR1B P49286 1/20 0.51
HPGD P15428 1/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
PLK1 P53350 1/20 0.49
CASP6 P55212 1/20 0.49
PLA2G4B P0C869 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL3559044 0.93 POLB (0.62) GAAPKMCYP2C19SMN1; SMN2LMNA
SCHEMBL3553707 0.92 L3MBTL1 (0.58) GAAPKMCYP2C19POLBATM
SCHEMBL3555944 0.91 TP53 (0.59) GAAPOLBATML3MBTL1TP53
SCHEMBL3559669 0.91 TP53 (0.59) GAAPOLBATML3MBTL1TP53
SCHEMBL3557480 0.89 CYP2C19 (0.62) GAAPKMCYP2C19SMN1; SMN2LMNA
SCHEMBL3555523 0.85 TSHR (0.56) GAAPKMSMN1; SMN2LMNAALDH1A1
SCHEMBL3556661 0.85 L3MBTL1 (0.65) PKMSMN1; SMN2LMNAALDH1A1POLB
SCHEMBL3556618 0.84 POLB (0.62) GAAPKMSMN1; SMN2LMNAALDH1A1
SCHEMBL3557828 0.84 PKM (0.54) GAAPKMCYP2C19SMN1; SMN2LMNA
SCHEMBL3562001 0.84 GAA (0.60) GAAPKMSMN1; SMN2LMNAALDH1A1

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 990/4885CYP2C19 337/4885

“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.