SCHEMBL670157

SCHEMBL670157

COC(=O)c1sc(C#CC(C)(C)C)cc1NC(C)CN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAF1 P04049 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 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
SCHEMBL325327 0.83 CYP2E1 (0.41) CYP2E1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL325326 0.83 CYP2E1 (0.41) CYP2E1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL10207373 0.83 RAF1 (0.50) MEN1KMT2ARAF1
SCHEMBL669791 0.82 KDM4E (0.40) CYP2E1KMT2ATSHRALDH1A1L3MBTL1
SCHEMBL319401 0.82 CYP2E1 (0.39) CYP2E1MEN1KMT2AALDH1A1KDM4E
SCHEMBL15130786 0.82 CYP2E1 (0.40) CYP2E1MEN1KMT2AALDH1A1KDM4E
SCHEMBL325018 0.81 CYP2E1 (0.41) CYP2E1ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL325017 0.81 CYP2E1 (0.41) CYP2E1ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL15124048 0.81 CYP2E1 (0.41) CYP2E1ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL326054 0.80 CYP2E1 (0.41) CYP2E1MEN1KMT2AALDH1A1KDM4E

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-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
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 CYP2E1 275/4885MEN1 4453/4885KMT2A 4550/4885

“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.