SCHEMBL3574358

SCHEMBL3574358

Cc1cccc(OCC(CSCc2ccccc2)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.53
PPARA Q07869 9/20 0.53
PPARD Q03181 2/20 0.48
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.42
HPGD P15428 2/20 0.42
JAK2 O60674 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL3573225 0.82 ADRB2 (0.47) ATMKMT2AMEN1ALDH1A1LMNA
SCHEMBL3573224 0.82 ADRB2 (0.47) ATMKMT2AMEN1ALDH1A1LMNA
SCHEMBL3575868 0.82 HPGD (0.47) PPARAATMKDM4EMAPK1KMT2A
SCHEMBL3575439 0.81 SYK (0.66) PPARAATMKMT2AMEN1HPGD
SCHEMBL3576526 0.79 PPARA (0.65) PPARGPPARAPPARDATMKMT2A
SCHEMBL29401524 0.79 PPARA (0.65) PPARGPPARAPPARDATMKMT2A
SCHEMBL29400099 0.79 PPARA (0.65) PPARGPPARAPPARDATMKMT2A
SCHEMBL14134838 0.78 PPARA (0.52) PPARGPPARAPPARDHTTADRB2
SCHEMBL30639552 0.77 ATM (0.65) PPARAATMCYP3A4HDAC3HDAC4
SCHEMBL6854832 0.76 ATM (0.56) ATMHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 EP 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-20060270693-A1 Ether derivative UROD, IL5, IL17A PPARG 159/4885PPARA 136/4885PPARD 23/4885

“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.