SCHEMBL325327

SCHEMBL325327

COC(=O)c1sc(C#CC(C)(C)C)cc1N[C@@H](C)C(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.41
ALDH1A1 P00352 6/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
THRB P10828 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
CASP6 P55212 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FPR2 P25090 1/20 0.35
SCN9A Q15858 1/20 0.35
RAF1 P04049 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL325326 1.00 CYP2E1 (0.41) CYP2E1ALDH1A1MAPTKDM4EGAA
SCHEMBL15130786 0.90 CYP2E1 (0.40) CYP2E1ALDH1A1KDM4EPOLBMEN1
SCHEMBL319401 0.89 CYP2E1 (0.39) CYP2E1ALDH1A1KDM4EPOLBMEN1
SCHEMBL325018 0.88 CYP2E1 (0.41) CYP2E1ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL15124048 0.88 CYP2E1 (0.41) CYP2E1ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL325017 0.88 CYP2E1 (0.41) CYP2E1ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL326053 0.87 CYP2E1 (0.41) CYP2E1ALDH1A1KDM4EPOLBMEN1
SCHEMBL326054 0.87 CYP2E1 (0.41) CYP2E1ALDH1A1KDM4EPOLBMEN1
SCHEMBL15130663 0.86 CYP2E1 (0.40) CYP2E1ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL10268640 0.86 CYP2E1 (0.41) CYP2E1ALDH1A1GAAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 US disclosed
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 US disclosed
EP-2585447-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-05-01 EP disclosed
WO-2012006055-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 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-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SLC10A1, ACE, CEL CYP2E1 1027/4885ALDH1A1 739/4885MAPT 410/4885

“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.