SCHEMBL670167

SCHEMBL670167

COC(=O)c1sc(C#CC(C)(C)C)cc1N[C@H]1C[C@H](C(=O)N(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.35
CYP2E1 P05181 1/20 0.34
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
RAF1 P04049 2/20 0.31
MAPK14 Q16539 2/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 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
SCHEMBL670166 1.00 NR1I2 (0.35) NR1I2CYP2E1KDM4EHTTATM
SCHEMBL15498388 0.88 KDM4E (0.33) NR1I2CYP2E1KDM4EHTTATM
SCHEMBL669880 0.85 RAF1 (0.36) NR1I2CYP2E1KDM4EHTTATM
SCHEMBL1960222 0.81 RAF1 (0.34) NR1I2KDM4EHTTATMRAF1
SCHEMBL1960225 0.81 RAF1 (0.34) NR1I2KDM4EHTTATMRAF1
SCHEMBL670381 0.81 MEN1 (0.31) NR1I2CYP2E1MAPK14
SCHEMBL15498396 0.81 MEN1 (0.31) NR1I2CYP2E1MAPK14
SCHEMBL669498 0.81 NR1I2 (0.34) NR1I2CYP2E1KDM4EHTTATM
SCHEMBL1963295 0.81 CYP2E1 (0.39) NR1I2CYP2E1KDM4EHTTATM
SCHEMBL102080 0.80 CHEK1 (0.42) NR1I2CYP2E1KDM4EHTTATM

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-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-06 US disclosed
US-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-06 US disclosed
EP-2606041-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-06-26 EP disclosed
WO-2012024363-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 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-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS GOT1, RNASE1, SLC10A1 NR1I2 1347/4885CYP2E1 275/4885KDM4E 4110/4885

“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.