SCHEMBL15499679

SCHEMBL15499679

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
MAPK14 Q16539 8/20 0.33
RAF1 P04049 13/20 0.33
NPSR1 Q6W5P4 3/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL15498360 0.94 MAPK14 (0.34) KDM4EMAPK14RAF1MAPK13MAPK12
SCHEMBL326075 0.87 RAF1 (0.35) KDM4EMAPK14RAF1MAPK13MAPK12
SCHEMBL14645197 0.85 RAF1 (0.35) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL324976 0.85 TBK1 (0.37) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL937253 0.81 RAF1 (0.32) KDM4EMAPK14RAF1MAPK13MAPK12
SCHEMBL670419 0.81 MAPK14 (0.34) KDM4EMAPK14RAF1MAPK13MAPK12
SCHEMBL670420 0.81 MAPK14 (0.34) KDM4EMAPK14RAF1MAPK13MAPK12
SCHEMBL937254 0.81 RAF1 (0.32) KDM4EMAPK14RAF1MAPK13MAPK12
SCHEMBL15130800 0.81 MAPK14 (0.34) KDM4EMAPK14RAF1NPSR1CRHBP
SCHEMBL15130678 0.81 NR1I2 (0.33) MAPK14RAF1NPSR1MAPK13MAPK12

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 2 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

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 KDM4E 4110/4885MAPK14 1892/4885RAF1 2116/4885

“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.