SCHEMBL2837643

SCHEMBL2837643

COC(=O)c1cc(C(C)(C)C)oc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 3/20 0.57
TSHR P16473 2/20 0.57
GAA P10253 1/20 0.57
PKM P14618 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
FUCA1 P04066 1/20 0.50
MAPK1 P28482 1/20 0.48
MAPT P10636 4/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.46
CYP26A1 O43174 2/20 0.46
USP2 O75604 1/20 0.46
MEN1 O00255 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL5809306 0.83 L3MBTL1 (0.60) ALDH1A1KDM4EL3MBTL1LMNATSHR
SCHEMBL3113960 0.83 MAPK1 (0.68) ALDH1A1KDM4EL3MBTL1LMNATSHR
SCHEMBL23462064 0.82 MAPK14 (0.51) ALDH1A1KDM4EL3MBTL1LMNATSHR
SCHEMBL13692387 0.79 L3MBTL1 (0.70) ALDH1A1KDM4EL3MBTL1LMNATSHR
SCHEMBL572624 0.79 L3MBTL1 (0.70) ALDH1A1KDM4EL3MBTL1LMNATSHR
SCHEMBL13035827 0.79 L3MBTL1 (0.64) ALDH1A1KDM4EL3MBTL1LMNATSHR
SCHEMBL13753404 0.78 CYP26A1 (0.60) ALDH1A1KDM4EL3MBTL1LMNATSHR
SCHEMBL573429 0.78 L3MBTL1 (0.68) ALDH1A1KDM4EL3MBTL1LMNATSHR
SCHEMBL13076637 0.78 L3MBTL1 (1.00) ALDH1A1KDM4EL3MBTL1LMNATSHR
SCHEMBL13753594 0.77 L3MBTL1 (0.62) ALDH1A1KDM4EL3MBTL1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227453-B1 HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMA (US) 2016-03-09 EP disclosed
US-8519137-B2 Heteroaryl amides useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
EP-2227453-A2 HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2010-09-15 EP disclosed
WO-2009049180-A2 HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-16 WO disclosed
US-20090099233-A1 HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-04-16 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-20090099233-A1 HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN3A, SCN2A ALDH1A1 2465/4885KDM4E 1641/4885L3MBTL1 3376/4885

“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.