SCHEMBL8207589

SCHEMBL8207589

CC(C)(C)OC(=O)N1CC(Cc2ccc(Cl)cc2)C(C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
VEGFA P15692 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
STS P08842 3/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
PDE4B Q07343 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL2934459 0.89 STS (0.48) STSPPARGPPARATACR1
SCHEMBL3916256 0.89 STS (0.48) STSPPARGPPARATACR1
SCHEMBL2934462 0.89 STS (0.48) STSPPARGPPARATACR1
SCHEMBL4768825 0.82 TSHR (0.41) MEN1KMT2AHPGDHSD17B10PPARG
SCHEMBL4768832 0.82 TSHR (0.41) MEN1KMT2AHPGDHSD17B10PPARG
SCHEMBL5220425 0.82 MEN1 (0.50) MEN1KMT2ANPSR1HTTSMN1; SMN2
SCHEMBL5117293 0.81 KMT2A (0.45) MEN1KMT2APPARGPPARACACNA1B
SCHEMBL4662963 0.81 KMT2A (0.45) MEN1KMT2APPARGPPARACACNA1B
SCHEMBL4662966 0.81 KMT2A (0.45) MEN1KMT2APPARGPPARACACNA1B
SCHEMBL12592456 0.79 PDE4B (0.58) MEN1KMT2ANPSR1USP2HPGD

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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 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 (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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 MEN1 2302/4885KMT2A 3407/4885NPSR1 3067/4885

“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.