SCHEMBL4898485

SCHEMBL4898485

O=S1(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.59
TDP2 O95551 1/20 0.45
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
GALR1 P47211 1/20 0.38
AKT1 P31749 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
CDK1 P06493 1/20 0.35
KIT P10721 1/20 0.35
CDK2 P24941 1/20 0.35
KDR P35968 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
S1PR1 P21453 1/20 0.35
CHKA P35790 1/20 0.35

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
SCHEMBL31258927 0.84 GRIA1 (0.39) KIF11CA9CA12
SCHEMBL4596034 0.77 KIF11 (0.52) KIF11TDP2CA9CA12CHRNB2
SCHEMBL25926850 0.76 KIF11 (0.40) KIF11CA9CA12HRH3
SCHEMBL1396616 0.75 KIF11 (1.00) KIF11TDP2AKT1
SCHEMBL2676020 0.74 KIF11 (0.63) KIF11TDP2CHRNB2CHRNA4PARP10
SCHEMBL4891712 0.73 CA9 (0.47) KIF11TDP2CA9CA12CHRNB2
Hydrochloric Acid SCHEMBL2675682 0.73 KIF11 (0.61) KIF11TDP2CHRNB2CHRNA4PARP10
SCHEMBL6910608 0.72 CYP11B2 (0.60) TDP2
SCHEMBL22326600 0.72 TDP2 (0.41) KIF11TDP2PARP10
SCHEMBL1396703 0.72 KIF11 (0.60) KIF11TDP2CA9CA12CHRNB2

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 562/4885TDP2 1033/4885CA9 2775/4885

“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.