SCHEMBL2844972

SCHEMBL2844972

CC(C)(C)OC(=O)NCCOc1ccc(F)c(F)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
SCN9A Q15858 1/20 0.47
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PDK2 Q15119 1/20 0.41
IDO1 P14902 4/20 0.40
AXL P30530 2/20 0.40
EGFR P00533 1/20 0.39
ITK Q08881 1/20 0.39
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL16946716 0.88 CA12 (0.46) CA12CA1CA2CA9SCN9A
SCHEMBL2847582 0.82 SCN9A (0.48) CA12CA1CA2CA9SCN9A
SCHEMBL16946787 0.81 SCN9A (0.48) CA12CA1CA2CA9SCN9A
SCHEMBL23112200 0.80 SCN9A (0.61) CA12CA1CA2CA9SCN9A
SCHEMBL31708756 0.80 CA12 (0.49) CA12CA1CA2CA9SCN9A
SCHEMBL28450948 0.79 CA12 (0.54) CA12CA1CA2CA9SCN9A
SCHEMBL27433685 0.79 SCN9A (0.49) CA12CA1CA2CA9SCN9A
SCHEMBL30954130 0.79 SCN9A (0.49) CA12CA1CA2CA9SCN9A
SCHEMBL21601218 0.78 IDO1 (0.53) CA12CA1CA2CA9SCN9A
SCHEMBL25457307 0.78 CA12 (0.46) CA12CA1CA2CA9SCN9A

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-20100130514-A1 FUSED HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE DERIVATIVE, AND USE OF THE COMPOSITION FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2145889-A1 FUSED HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE DERIVATIVE, AND USE OF THE COMPOSITION FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-20 EP 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-20100130514-A1 FUSED HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE DERIVATIVE, AND USE OF THE COMPOSITION FOR MEDICAL PURPOSES SHBG, CYP19A1, CYP21A2 CA12 748/4885CA1 1687/4885CA2 1004/4885

“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.