SCHEMBL3554988

SCHEMBL3554988

CCc1ccc(C(=O)Nc2ccccc2OCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
PLK1 P53350 1/20 0.56
CACNA1H O95180 4/20 0.55
CACNA1B Q00975 2/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 2/20 0.55
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
PKM P14618 1/20 0.52
LMNA P02545 1/20 0.52
P4HTM Q9NXG6 1/20 0.51
POLB P06746 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC16A3 O15427 1/20 0.49
TSHR P16473 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
SCHEMBL3559976 0.90 PKM (0.60) GAAPLK1CACNA1HCACNA1BRAB9A
SCHEMBL3555876 0.88 CACNA1H (0.57) GAAPLK1CACNA1HCACNA1BRAB9A
SCHEMBL3557989 0.88 F10 (0.62) GAAPLK1CACNA1HCACNA1BRAB9A
SCHEMBL3556306 0.86 RAB9A (0.56) GAAPLK1CACNA1HCACNA1BRAB9A
SCHEMBL3565241 0.86 KMT2A (0.57) GAAPLK1CACNA1HCACNA1BRAB9A
SCHEMBL9348945 0.84 PPARA (0.58) GAAPLK1CACNA1HCACNA1BRAB9A
SCHEMBL3558807 0.82 TDP1 (0.56) GAACACNA1HCACNA1BNPC1RXRA
SCHEMBL3558076 0.82 SMN1; SMN2 (0.56) GAAPLK1CACNA1HCACNA1BRAB9A
SCHEMBL3554389 0.81 KMT2A (0.57) GAAPLK1RAB9AMEN1KMT2A
SCHEMBL3561876 0.81 L3MBTL1 (0.54) GAAPLK1CACNA1HCACNA1BRAB9A

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 1191/4885PLK1 4876/4885CACNA1H 2058/4885

“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.