SCHEMBL325208

SCHEMBL325208

COC(=O)c1sc(C#CC(C)(C)C)cc1NC(C)CC(=O)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NR1I2 O75469 2/20 0.35
RAF1 P04049 3/20 0.33
ALDH1A1 P00352 5/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 1/20 0.32
TSHR P16473 2/20 0.32
PIK3CD O00329 1/20 0.32
LMNA P02545 1/20 0.30
CCKBR P32239 1/20 0.30
MAPK1 P28482 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
SCHEMBL10264610 0.83 RAF1 (0.48) RAF1
SCHEMBL14645197 0.82 RAF1 (0.35) RAF1
SCHEMBL325318 0.82 RAF1 (0.31) RAF1
SCHEMBL325319 0.82 RAF1 (0.31) RAF1
SCHEMBL10265133 0.82 NR1I2 (0.31) CYP2E1NR1I2RAF1
SCHEMBL15130678 0.82 NR1I2 (0.33) CYP2E1KMT2ANR1I2RAF1ALDH1A1
SCHEMBL937253 0.80 RAF1 (0.32) CYP2E1NR1I2RAF1
SCHEMBL937254 0.80 RAF1 (0.32) CYP2E1NR1I2RAF1
SCHEMBL670157 0.80 CYP2E1 (0.41) CYP2E1MEN1KMT2ARAF1ALDH1A1
SCHEMBL325326 0.77 CYP2E1 (0.41) CYP2E1MEN1KMT2ARAF1ALDH1A1

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 5 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
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 1027/4885MEN1 3721/4885KMT2A 4247/4885

“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.