SCHEMBL1497416

SCHEMBL1497416

CC(=O)NC12CC3CC(C1)C(F)C(C3)C2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
EPHX2 P34913 6/20 0.47
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 1/20 0.40
GAA P10253 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1032166 0.84 EPHX1 (0.51) EPHX1EPHX2KMT2ASMN1; SMN2HSD11B1
SCHEMBL17226608 0.84 EPHX1 (0.51) EPHX1EPHX2KMT2ASMN1; SMN2HSD11B1
SCHEMBL3043517 0.84 EPHX2 (0.48) EPHX1EPHX2KMT2ASMN1; SMN2
SCHEMBL19757636 0.82 EPHX1 (0.68) EPHX1EPHX2KMT2ASMN1; SMN2GAA
SCHEMBL133014 0.82 EPHX1 (0.68) EPHX1EPHX2KMT2ASMN1; SMN2GAA
SCHEMBL1406564 0.82 EPHX1 (0.50) EPHX1EPHX2KMT2ASMN1; SMN2HSD11B1
SCHEMBL13195554 0.82 EPHX1 (0.50) EPHX1EPHX2KMT2ASMN1; SMN2HSD11B1
SCHEMBL18007748 0.82 EPHX1 (0.50) EPHX1EPHX2KMT2ASMN1; SMN2HSD11B1
SCHEMBL1406566 0.82 EPHX1 (0.50) EPHX1EPHX2KMT2ASMN1; SMN2HSD11B1
SCHEMBL12759015 0.81 EPHX1 (0.46) EPHX1EPHX2KMT2ASMN1; SMN2HSD11B1

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-8440720-B2 Methods of use of antiviral compounds INFLUMEDIX, INC. (US) 2013-05-14 US disclosed
US-8440720-B2 Methods of use of antiviral compounds INFLUMEDIX, INC. (US) 2013-05-14 US disclosed
US-8440720-B2 Methods of use of antiviral compounds INFLUMEDIX, INC. (US) 2013-05-14 US disclosed
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS INFLUMEDIX, INC. 2011-03-17 US disclosed
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS INFLUMEDIX, INC. 2011-03-17 US disclosed
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS INFLUMEDIX, INC. 2011-03-17 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-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS MAVS, SLC30A5, HAVCR2 EPHX1 3863/4885EPHX2 3743/4885KMT2A 3821/4885

“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.