SCHEMBL10265383

SCHEMBL10265383

COC(=O)c1sc(C#CC(C)(C)C)cc1N(CC(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.62
NR1I2 O75469 2/20 0.52
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL15124313 1.00 CYP2E1 (0.62) CYP2E1NR1I2KDM4EHTTATM
SCHEMBL15124204 0.92 CYP2E1 (0.59) CYP2E1NR1I2NR1H4
SCHEMBL15130735 0.92 CYP2E1 (0.59) CYP2E1NR1I2NR1H4
SCHEMBL15498321 0.90 CYP2E1 (0.74) CYP2E1NR1I2
SCHEMBL10206082 0.90 CYP2E1 (0.74) CYP2E1NR1I2
SCHEMBL15123909 0.90 CYP2E1 (0.57) CYP2E1NR1I2NR1H4
SCHEMBL15123908 0.90 CYP2E1 (0.57) CYP2E1NR1I2NR1H4
SCHEMBL671680 0.90 CYP2E1 (0.57) CYP2E1NR1I2
SCHEMBL671679 0.90 CYP2E1 (0.57) CYP2E1NR1I2
SCHEMBL15498353 0.88 CYP2E1 (0.55) CYP2E1NR1I2

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 7 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
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-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
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 US 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 (2 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 CYP2E1 275/4885NR1I2 1347/4885KDM4E 4110/4885
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SLC10A1, ACE, CEL CYP2E1 1027/4885NR1I2 1500/4885KDM4E 4146/4885

“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.