SCHEMBL668991

SCHEMBL668991

COC(=O)c1sc(C#CC(C)C)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CYP2E1 P05181 1/20 0.39
GPR119 Q8TDV5 5/20 0.36
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36
ALDH1A1 P00352 2/20 0.34
STS P08842 3/20 0.34
EPHX2 P34913 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTPN2 P17706 1/20 0.33

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
SCHEMBL668992 1.00 NR1I2 (0.42) NR1I2MEN1KMT2ACYP2E1GPR119
SCHEMBL138216 0.90 NR1I2 (0.53) NR1I2MEN1KMT2ACYP2E1GPR119
SCHEMBL138217 0.90 NR1I2 (0.53) NR1I2MEN1KMT2ACYP2E1GPR119
SCHEMBL12514487 0.86 MEN1 (0.42) NR1I2MEN1KMT2AGPR119EED
SCHEMBL2216688 0.86 NR1I2 (0.51) NR1I2MEN1KMT2ACYP2E1GPR119
SCHEMBL15498399 0.85 NR1I2 (0.38) NR1I2MEN1KMT2ACYP2E1ALDH1A1
SCHEMBL15499605 0.85 NR1I2 (0.38) NR1I2MEN1KMT2ACYP2E1ALDH1A1
SCHEMBL15498330 0.85 NR1I2 (0.41) NR1I2CYP2E1
SCHEMBL15511698 0.85 NR1I2 (0.41) NR1I2CYP2E1
SCHEMBL10206095 0.85 NR1I2 (0.41) NR1I2CYP2E1

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 1347/4885MEN1 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.