SCHEMBL3577544

SCHEMBL3577544

N[C@@H](CNC(=O)O)COc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.46
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
NR4A2 P43354 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
DPP4 P27487 1/20 0.41
GPR34 Q9UPC5 1/20 0.40
USP2 O75604 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
MAOB P27338 1/20 0.39
SLC1A5 Q15758 1/20 0.38

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
SCHEMBL15664923 0.84 MTNR1A (0.47)
SCHEMBL15663925 0.83 NPC1 (0.43) NR4A2MEN1KMT2AALDH1A1KDM4E
SCHEMBL15664419 0.82 SLC1A3 (0.43) TRPV4MEN1KMT2AMAOB
SCHEMBL29995490 0.79 PPARG (0.51) TRPV4PPARGPPARAMRGPRX4NR4A2
SCHEMBL28432474 0.79 PPARG (0.51) TRPV4PPARGPPARAMRGPRX4NR4A2
SCHEMBL28429123 0.79 PPARG (0.51) TRPV4PPARGPPARAMRGPRX4NR4A2
SCHEMBL28437354 0.79 PPARG (0.51) TRPV4PPARGPPARAMRGPRX4NR4A2
SCHEMBL29994776 0.79 PPARG (0.51) TRPV4PPARGPPARAMRGPRX4NR4A2
SCHEMBL25340495 0.76 SLC1A1 (0.57) PPARGPPARADPP4
SCHEMBL3579103 0.76 MTNR1A (0.57) PPARGPPARAMRGPRX4MEN1KMT2A

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 TRPV4 228/4885PPARG 159/4885PPARA 136/4885

“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.