SCHEMBL15801232

SCHEMBL15801232

CCC(C)Oc1ccc(C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
ATM Q13315 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
AAK1 Q2M2I8 3/20 0.34
KIF11 P52732 1/20 0.34
KDM4E B2RXH2 3/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
NR1I2 O75469 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL15801236 0.85 RXRA (0.37) RXRARXRBRXRGATMCTSS
SCHEMBL16174389 0.81 SYK (0.44) RXRARXRBRXRGCTSSCTSK
SCHEMBL12180332 0.81 SYK (0.44) RXRARXRBRXRGCTSSCTSK
SCHEMBL13499050 0.80 RXRA (0.39) RXRARXRBRXRGCTSSCTSK
SCHEMBL10801467 0.80 RXRA (0.42) RXRARXRBRXRGCTSSCTSK
SCHEMBL15801230 0.78 HDAC1 (0.46) ATML3MBTL1CA1CA2CA9
SCHEMBL5489761 0.77 MAPK1 (0.50) RXRAATMMEN1HTTKMT2A
SCHEMBL15801234 0.77 RXRA (0.39) RXRARXRBRXRGATMAAK1
SCHEMBL27642753 0.77 CTSS (0.44) RXRARXRBRXRGCTSSCTSK
SCHEMBL3495657 0.77 CTSS (0.44) RXRARXRBRXRGCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 RXRA 1307/4885RXRB 1526/4885RXRG 1266/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 RXRA 1307/4885RXRB 1526/4885RXRG 1266/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 RXRA 1147/4885RXRB 1246/4885RXRG 1257/4885

“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.