SCHEMBL7676729

SCHEMBL7676729

FC(F)(F)Oc1ccc(-c2ccc(S)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
SCN5A Q14524 11/20 0.45
AURKA O14965 1/20 0.45
TPX2 Q9ULW0 1/20 0.45
NISCH Q9Y2I1 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
MAPT P10636 1/20 0.42
EPHX2 P34913 1/20 0.42
NOTUM Q6P988 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
GALR1 P47211 1/20 0.40

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
SCHEMBL513526 0.93 MAPT (0.47) KIF11NISCHMAPTEPHX2NOTUM
SCHEMBL7359993 0.86 EPHX2 (0.44) KIF11SCN5ANISCHMAPTEPHX2
SCHEMBL254957 0.80 MAPT (0.56) KIF11NISCHMAPTEPHX2NOTUM
SCHEMBL18293362 0.79 KIF11 (0.50) KIF11SCN5AAURKATPX2NISCH
SCHEMBL306823 0.79 KIF11 (0.50) KIF11SCN5AAURKATPX2NISCH
SCHEMBL7938385 0.79 KIF11 (0.50) KIF11SCN5AAURKATPX2NISCH
SCHEMBL17110105 0.77 KIF11 (0.53) KIF11SCN5AAURKATPX2NISCH
SCHEMBL1242144 0.77 KIF11 (0.52) KIF11SCN5AAURKATPX2NISCH
SCHEMBL2088727 0.77 KIF11 (0.49) KIF11SCN5AAURKATPX2NISCH
SCHEMBL10989192 0.77 TRPV1 (0.54) KIF11SCN5AAURKATPX2NISCH

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-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases DAVIDSEN STEVEN K (US) 2002-01-17 US disclosed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 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-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 KIF11 3968/4885SCN5A 3861/4885AURKA 4667/4885

“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.