SCHEMBL5408260

SCHEMBL5408260

CC(C)(C)OC(=O)NC(C=CC(=O)O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.55
ACE P12821 1/20 0.54
CTSS P25774 3/20 0.53
CTSK P43235 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
APP P05067 1/20 0.48
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5414386 1.00 ATM (0.55) ATMACECTSSCTSKCTSL
SCHEMBL5821214 1.00 ATM (0.55) ATMACECTSSCTSKCTSL
SCHEMBL5414321 1.00 ATM (0.55) ATMACECTSSCTSKCTSL
SCHEMBL30289939 1.00 ATM (0.55) ATMACECTSSCTSKCTSL
SCHEMBL4275633 1.00 ATM (0.55) ATMACECTSSCTSKCTSL
SCHEMBL4275630 1.00 ATM (0.55) ATMACECTSSCTSKCTSL
SCHEMBL12137049 0.93 ATM (0.61) ATMACECTSSCTSKCTSL
SCHEMBL2736190 0.93 ATM (0.61) ATMACECTSSCTSKCTSL
SCHEMBL15756617 0.91 ATM (0.52) ATMACECTSSCTSKCTSL
SCHEMBL15756619 0.91 ATM (0.52) ATMACECTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094238-B Carbamoyl phenylalaninol analogues and uses thereof 杰资制药爱尔兰有限公司 2023-06-09 CN disclosed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20060223814-A1 Nk-2 antagonist basic linear compounds and formulations containing them MENARINI RICERCHE S.P.A. (IT) 2006-10-05 US disclosed
EP-1620432-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM Menarini Ricerche S.p.A. (IT) 2006-02-01 EP disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO disclosed
WO-2004094412-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2004-11-04 WO disclosed
WO-2002048097-A9 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INT INC (US) 2003-05-08 WO disclosed
US-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections DENDREON CORPORATION 2002-08-08 US disclosed
WO-2002048097-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INTERNATIONAL, INC. (US) 2002-06-20 WO 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 (3 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 ATM 2145/4885ACE 2817/4885CTSS 3490/4885
US-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections CAT, CTSA, CTRL ATM 4663/4885ACE 131/4885CTSS 5/4885
US-20060223814-A1 Nk-2 antagonist basic linear compounds and formulations containing them BDKRB2, KLK2, BDKRB1 ATM 2561/4885ACE 708/4885CTSS 1158/4885

“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.