SCHEMBL4890671

SCHEMBL4890671

NC1C(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2SC1OC(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.38
FFAR1 O14842 1/20 0.36
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TDP2 O95551 1/20 0.33
SLC6A2 P23975 1/20 0.32
P2RY14 Q15391 1/20 0.32
DHODH Q02127 1/20 0.31
HDAC2 Q92769 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
SCHEMBL4899632 1.00 KIF11 (0.38) KIF11FFAR1MAPTTP53SMN1; SMN2
SCHEMBL5886628 0.80 HSD17B10 (0.44) MAPTSMN1; SMN2LMNA
SCHEMBL4801273 0.80 HSD17B10 (0.44) MAPTSMN1; SMN2LMNA
SCHEMBL4595123 0.77 KIF11 (0.38) KIF11FFAR1TDP2SLC6A2P2RY14
SCHEMBL4596438 0.77 KIF11 (0.38) KIF11FFAR1TDP2SLC6A2P2RY14
Trifluoroacetic Acid SCHEMBL4890663 0.73 KIF11 (0.43) KIF11FFAR1TP53TDP2P2RY14
Trifluoroacetic Acid SCHEMBL4899626 0.73 KIF11 (0.43) KIF11FFAR1TP53TDP2P2RY14
SCHEMBL14154396 0.72 KIF11 (0.48) KIF11FFAR1TDP2
SCHEMBL7668861 0.68 GAA (0.34) MAPTSMN1; SMN2
SCHEMBL4596362 0.64 KIF11 (0.61) KIF11TDP2

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-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US claimed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 KIF11 562/4885FFAR1 4414/4885MAPT 2954/4885

“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.