SCHEMBL3558113

SCHEMBL3558113

O=C(O)c1ccc(OCCOc2ccccc2NC(=O)C2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
PKM P14618 3/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 1/20 0.51
EPHX2 P34913 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CETP P11597 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 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
SCHEMBL3557411 0.99 SMN1; SMN2 (0.57) SMN1; SMN2PKMGAANPC1EPHX2
SCHEMBL3559504 0.82 ALDH1A1 (0.54) SMN1; SMN2PKMGAANPC1RAB9A
SCHEMBL3559976 0.80 PKM (0.60) SMN1; SMN2PKMGAANPC1RAB9A
SCHEMBL3556661 0.78 L3MBTL1 (0.65) SMN1; SMN2PKMNPC1RAB9APOLB
SCHEMBL3557480 0.77 CYP2C19 (0.62) SMN1; SMN2PKMGAANPC1RAB9A
SCHEMBL3562001 0.77 GAA (0.60) SMN1; SMN2PKMGAANPC1RAB9A
SCHEMBL3554086 0.77 PKM (0.56) SMN1; SMN2PKMGAARAB9APOLB
SCHEMBL3560773 0.77 PKM (0.52) SMN1; SMN2PKMNPC1RAB9AKMT2A
SCHEMBL3565241 0.76 KMT2A (0.57) SMN1; SMN2PKMGAANPC1RAB9A
SCHEMBL3555523 0.76 TSHR (0.56) SMN1; SMN2PKMGAANPC1RAB9A

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 SMN1; SMN2 4522/4885PKM 990/4885GAA 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.