SCHEMBL10067645

SCHEMBL10067645

CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.66
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
CA9 Q16790 2/20 0.66
KDM4E B2RXH2 2/20 0.57
POLB P06746 1/20 0.56
KMT2A Q03164 3/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ABCC9 O60706 1/20 0.50
ABCC8 Q09428 1/20 0.50
KCNJ11 Q14654 1/20 0.50
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50

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
SCHEMBL18850964 0.83 CA12 (0.70) CA12CA1CA2CA9KDM4E
SCHEMBL22869375 0.83 CA12 (0.60) CA12CA1CA2CA9KDM4E
SCHEMBL19777840 0.80 CA12 (0.66) CA12CA1CA2CA9KDM4E
SCHEMBL4002880 0.80 MAPT (0.68) CA12CA1CA2CA9POLB
SCHEMBL9923569 0.80 ALDH1A1 (0.51) CA12CA1CA2CA9KDM4E
SCHEMBL10067644 0.79 CA1 (0.70) CA12CA1CA2CA9KDM4E
SCHEMBL16057183 0.79 CA1 (1.00) CA12CA1CA2CA9KMT2A
Trifluoroacetic Acid SCHEMBL22612205 0.79 F2 (0.49) CA12CA1CA2CA9KDM4E
SCHEMBL1102020 0.79 CA1 (0.73) CA12CA1CA2CA9POLB
SCHEMBL18851200 0.79 CA12 (0.64) CA12CA1CA2CA9KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141517-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING ANTI-TISSUE FACTOR ANTIBODY-DRUG CONJUGATES EXELIXIS, INC. (US) 2023-07-27 WO disclosed
US-8097636-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-17 US disclosed
US-7994166-B2 Pyrrolidinone benzenesulfonamide derivatives as modulators of ion channels for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-09 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20090131440-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
US-20090124655-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 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 (3 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-20090131440-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 CA12 3362/4885CA1 1084/4885CA2 192/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 CA12 3362/4885CA1 1084/4885CA2 192/4885
US-20090124655-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 CA12 3362/4885CA1 1084/4885CA2 192/4885

“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.