SCHEMBL2611971

SCHEMBL2611971

COC(=O)c1sc(C2=CCCCC2)cc1NC1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
BTK Q06187 4/20 0.34
DRD2 P14416 7/20 0.34
GAA P10253 1/20 0.33
DRD3 P35462 2/20 0.33
LIPG Q9Y5X9 1/20 0.32
PDE4B Q07343 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PRKDC P78527 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL14549438 0.85 KDM4E (0.39) KDM4EHTTATMKMT2ASMN1; SMN2
SCHEMBL14818387 0.85 KDM4E (0.39) KDM4EHTTATMKMT2AL3MBTL1
SCHEMBL2107002 0.78 NR1I2 (0.31)
SCHEMBL2107005 0.78 NR1I2 (0.31)
SCHEMBL2106245 0.76 PRKCQ (0.33) KDM4EHTTATM
SCHEMBL2106348 0.75 KDM4E (0.33) KDM4EHTTATMKMT2AALDH1A1
SCHEMBL14641540 0.75 KDM4E (0.33) KDM4EHTTATMALDH1A1LMNA
SCHEMBL2106397 0.75 KDM4E (0.33) KDM4EHTTATM
SCHEMBL2107656 0.70 MAPT (0.46) KDM4EHTTATMKMT2AALDH1A1
SCHEMBL2104914 0.70 KDM4E (0.51) KDM4EKMT2AL3MBTL1SMN1; SMN2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674118-B2 Compounds and methods for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-18 US disclosed
US-8674118-B2 Compounds and methods for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-18 US disclosed
US-20120164103-A1 Compounds and Methods for the Treatment or Prevention of Flavivirus Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-06-28 US disclosed
US-8158675-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-04-17 US disclosed
US-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2010-04-15 US disclosed
US-7569600-B2 Compounds and methods for the treatment of prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2009-08-04 US 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-20120164103-A1 Compounds and Methods for the Treatment or Prevention of Flavivirus Infections ZC3HAV1, YBX1, HAX1 KDM4E 2984/4885KDM1A 1080/4885MAOB 839/4885
US-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, YBX1, HAX1 KDM4E 2984/4885KDM1A 1080/4885MAOB 839/4885

“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.