SCHEMBL3555876

SCHEMBL3555876

Cc1ccc(C(=O)Nc2ccccc2OCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.57
CACNA1B Q00975 2/20 0.57
GAA P10253 1/20 0.56
PKM P14618 1/20 0.55
PLK1 P53350 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54
LMNA P02545 1/20 0.54
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 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
SCHEMBL3559976 0.92 PKM (0.60) CACNA1HCACNA1BGAAPKMPLK1
SCHEMBL3557989 0.90 F10 (0.62) CACNA1HCACNA1BGAAPKMPLK1
SCHEMBL3554988 0.88 GAA (0.57) CACNA1HCACNA1BGAAPKMPLK1
SCHEMBL3556306 0.88 RAB9A (0.56) CACNA1HCACNA1BGAAPKMPLK1
SCHEMBL3565241 0.88 KMT2A (0.57) CACNA1HCACNA1BGAAPKMPLK1
SCHEMBL3554389 0.86 KMT2A (0.57) GAAPKMPLK1SMN1; SMN2MEN1
SCHEMBL3561876 0.86 L3MBTL1 (0.54) CACNA1HCACNA1BGAAPKMPLK1
SCHEMBL3568069 0.83 CACNA1H (0.53) CACNA1HCACNA1BGAAPKMPLK1
SCHEMBL3561367 0.83 PYGM (0.62) CACNA1HCACNA1BPKMSMN1; SMN2MEN1
SCHEMBL3558462 0.82 PKM (0.54) CACNA1HCACNA1BGAAPKMPLK1

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 CACNA1H 2058/4885CACNA1B 1921/4885GAA 1191/4885

“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.