SCHEMBL6152446

SCHEMBL6152446

Cc1ccc(C2(C)CC(Nc3cc(C)cc(C)n3)C(=O)O2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
PHGDH O43175 1/20 0.34
LCK P06239 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GBA1 P04062 1/20 0.31
MAPK1 P28482 1/20 0.31
IDH1 O75874 1/20 0.31
CBLB Q13191 1/20 0.31
KDM4E B2RXH2 2/20 0.30
TSHR P16473 1/20 0.30
HPGD P15428 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
SCHEMBL6152460 0.92 NOS3 (0.33) NOS3NOS2LCKSMN1; SMN2NPC1
SCHEMBL6152508 0.90 NOS3 (0.36) NOS3NOS2PHGDHLCKSMN1; SMN2
SCHEMBL6153002 0.90 PDE2A (0.36) NOS3NOS2PHGDHLCKKCNH2
SCHEMBL6152619 0.90 PHGDH (0.40) PHGDHKMT2AALDH1A1KDM4ETSHR
SCHEMBL6152273 0.90 PDE2A (0.36) NOS3NOS2PHGDHLCKSMN1; SMN2
SCHEMBL6152633 0.90 NOS3 (0.33) NOS3NOS2LCKSMN1; SMN2NPC1
SCHEMBL6152680 0.88 LMNA (0.38) NOS3NOS2PHGDHKCNH2SMN1; SMN2
SCHEMBL6153509 0.88 PHGDH (0.38) NOS3NOS2PHGDHSLC6A2SLC6A4
SCHEMBL6152064 0.87 SMN1; SMN2 (0.39) NOS3NOS2PHGDHLCKSLC6A2
SCHEMBL6152536 0.87 CHRNB2 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1GBA1

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
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-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
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 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 (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 1714/4885PHGDH 413/4885

“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.