SCHEMBL670381

SCHEMBL670381

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

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1I2 O75469 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP2E1 P05181 1/20 0.30
MAPK14 Q16539 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
SCHEMBL15498396 1.00 MEN1 (0.31) MEN1KMT2ANR1I2ALDH1A1CASP3
SCHEMBL15498388 0.86 KDM4E (0.33) NR1I2ALDH1A1CYP2E1MAPK14
SCHEMBL669880 0.84 RAF1 (0.36) NR1I2CYP2E1MAPK14
SCHEMBL670167 0.81 NR1I2 (0.35) NR1I2CYP2E1MAPK14
SCHEMBL670166 0.81 NR1I2 (0.35) NR1I2CYP2E1MAPK14
SCHEMBL1960222 0.80 RAF1 (0.34) NR1I2
SCHEMBL1960225 0.80 RAF1 (0.34) NR1I2
SCHEMBL12949424 0.79 MAPK14 (0.31) MAPK14
SCHEMBL669498 0.79 NR1I2 (0.34) NR1I2CYP2E1MAPK14
SCHEMBL1963295 0.79 CYP2E1 (0.39) NR1I2CYP2E1MAPK14

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 MEN1 4453/4885KMT2A 4550/4885NR1I2 1347/4885

“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.