SCHEMBL1597093

SCHEMBL1597093

C[CH]NCC(=O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 1/20 0.39
EPHX1 P07099 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NAAA Q02083 1/20 0.37
TSHR P16473 3/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
HSD11B1 P28845 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL14932795 0.78 CES2 (0.44) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL24337161 0.78 CES2 (0.44) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL19540775 0.78 CES2 (0.48) CES2CES1HDAC8HDAC6LMNA
SCHEMBL21232394 0.75 EPHX1 (0.42) CES2CES1HDAC8HDAC6LMNA
SCHEMBL599277 0.74 CES2 (0.55) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL29333109 0.74 CES2 (0.55) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL29333093 0.74 CES2 (0.55) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL28425729 0.74 CES2 (0.55) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL2769783 0.72 DPP7 (0.44) LMNAEPHX1SMN1; SMN2ALDH1A1
SCHEMBL784986 0.72 CYP2D6 (0.44) CES2CES1HDAC8HDAC6EPHX1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919515-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2011-04-05 US disclosed
EP-1833805-B1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES ADAMED SP ZOO (PL) 2010-02-10 EP disclosed
US-7312338-B2 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-12-25 US disclosed
US-20070219259-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES ADAMED SP. Z O.O. (PL) 2007-09-20 US disclosed
US-20070088061-A1 New 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-04-19 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 (2 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-20070088061-A1 New 3-phenylpropionic acid derivatives PPARA, PPARD, PPARG CES2 1286/4885CES1 302/4885HDAC8 1784/4885
US-20070219259-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES PPARA, PPARD, PPARG CES2 1198/4885CES1 288/4885HDAC8 1719/4885

“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.