SCHEMBL6152633

SCHEMBL6152633

Cc1cc(C)nc(NC2CC(C)(c3ccc(C)c(C)c3)OC2=O)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CBLB Q13191 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.31
LCK P06239 1/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CCR2 P41597 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6152446 0.90 NOS3 (0.35) NOS3NOS2CBLBKDM4ETSHR
SCHEMBL6152460 0.89 NOS3 (0.33) NOS3NOS2KDM4ELCKKMT2A
SCHEMBL6152508 0.87 NOS3 (0.36) NOS3NOS2LCKKMT2ASMN1; SMN2
SCHEMBL6153509 0.87 PHGDH (0.38) NOS3NOS2CBLBKDM4ETSHR
SCHEMBL6152064 0.87 SMN1; SMN2 (0.39) NOS3NOS2CBLBKDM4ETSHR
SCHEMBL6152284 0.86 PHGDH (0.31) NOS3NOS2CBLB
SCHEMBL6152465 0.85 MAPT (0.40) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6153002 0.85 PDE2A (0.36) NOS3NOS2KDM4ELCKSMN1; SMN2
SCHEMBL6152619 0.85 PHGDH (0.40) KDM4ETSHRKMT2AMEN1ALDH1A1
SCHEMBL6152273 0.85 PDE2A (0.36) NOS3NOS2KDM4ELCKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US claimed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP claimed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US claimed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 WO claimed
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US disclosed
EP-0804436-B1 GUANINE DERIVATIVE WELLCOME FOUND (GB) 2005-08-24 EP disclosed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP disclosed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US disclosed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
EP-0874631-B1 USE OF VALACICLOVIR FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF GENITAL HERPES BY A SINGLE DAILY APPLICATION GLAXO GROUP LTD (GB) 2003-11-19 EP disclosed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 WO disclosed
US-6107302-A STORAGE STABLE VALACICLOVIR IN ANHYDROUS CRYSTALLINE FORM; VIRICIDE AGAINST HERPES VIRUS GLAXO WELLCOME INC. (US) 2000-08-22 US disclosed
EP-0806943-B1 VALACICLOVIR TABLETS CONTAINING COLLOIDAL SILICON DIOXIDE WELLCOME FOUND (GB) 2000-03-15 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-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations BACE1, MYC, APP NOS3 1914/4885NOS2 1714/4885CBLB 4202/4885

“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.