SCHEMBL325328

SCHEMBL325328

COCC(Nc1cc(C#CC(C)C)sc1C(=O)OC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 2/20 0.34
RAF1 P04049 5/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.32
MAPK14 Q16539 3/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
KEAP1 Q14145 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
SCHEMBL325099 0.88 TBK1 (0.37) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL326075 0.85 RAF1 (0.35) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL10265305 0.80 RAF1 (0.52) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL15130800 0.75 MAPK14 (0.34) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL10265400 0.75 MAPT (0.35) MAPTKDM4EALDH1A1LMNARAF1
SCHEMBL324976 0.74 TBK1 (0.37) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL668964 0.72 MAPT (0.35) MAPTKDM4EALDH1A1LMNARAF1
SCHEMBL325862 0.72 MAPT (0.35) MAPTKDM4EALDH1A1LMNARAF1
SCHEMBL15499679 0.72 KDM4E (0.34) KDM4ERAF1MAPK14MAPK13MAPK12
SCHEMBL15130678 0.71 NR1I2 (0.33) ALDH1A1RAF1HPGDMAPK14MAPK13

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-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
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 MAPT 410/4885KDM4E 4146/4885ALDH1A1 739/4885

“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.