SCHEMBL3559068

SCHEMBL3559068

CCS(=O)(=O)Nc1ccc(OCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.59
LMNA P02545 1/20 0.57
AR P10275 1/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
PLA2G4B P0C869 2/20 0.54
MAPK1 P28482 2/20 0.52
USP2 O75604 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RARB P10826 4/20 0.52
HTT P42858 1/20 0.51
WDR5 P61964 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
SCHEMBL3563414 0.88 AR (0.62) LMNAARTSHRTP53PLA2G4B
SCHEMBL1017480 0.87 HPGD (0.72) HPGDLMNAARTSHRHSD17B10
SCHEMBL3555970 0.87 NPC1 (0.61) HPGDLMNAARPKMTSHR
SCHEMBL9490752 0.86 HPGD (0.70) HPGDLMNAARTSHRHSD17B10
SCHEMBL3561816 0.85 AR (0.66) HPGDARPKMTSHRPLA2G4B
SCHEMBL3561953 0.83 PKM (0.51) PKMTSHRTP53PLA2G4BMAPK1
SCHEMBL3564030 0.83 MAPK1 (0.56) PKMTSHRTP53PLA2G4BMAPK1
SCHEMBL3562032 0.82 SMN1; SMN2 (0.71) LMNATSHRTP53PLA2G4BRARB
SCHEMBL3561678 0.81 PKM (0.56) LMNAPKMTSHRTP53PLA2G4B
SCHEMBL3563945 0.81 ALDH1A1 (0.63) HPGDLMNAARTP53MAPK1

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 HPGD 389/4885LMNA 2120/4885AR 3412/4885

“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.