SCHEMBL2840089

SCHEMBL2840089

COC(=O)c1cc(C(C)(C)C)oc1CBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MAPK14 Q16539 4/20 0.39
RAF1 P04049 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 2/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 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
SCHEMBL1674226 0.79 KMT2A (0.41) MAPK1ALDH1A1KDM4EALOX15HSD17B10
SCHEMBL8273121 0.78 SOS1 (0.36) ALDH1A1KDM4EALOX15HSD17B10MAPT
SCHEMBL23462064 0.77 MAPK14 (0.51) MAPK1ALDH1A1KDM4EL3MBTL1NPSR1
SCHEMBL2837643 0.77 ALDH1A1 (0.64) MAPK1ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL26985505 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EALOX15HSD17B10MAPT
SCHEMBL26985518 0.73 GAA (0.36) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL5860698 0.70 KDM4E (0.46) MAPK1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL2109561 0.67 HSD17B10 (0.44) MAPK1ALDH1A1KDM4EL3MBTL1ALOX15
SCHEMBL10308321 0.67 MEN1 (0.66) MAPK1ALDH1A1KDM4EL3MBTL1HSD17B10
SCHEMBL8907104 0.67 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10LMNATSHR

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 11 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
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
US-8519137-B2 Heteroaryl amides useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US 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
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
US-20090099233-A1 HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-04-16 US 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 MAPK1 4258/4885ALDH1A1 2465/4885KDM4E 1641/4885

“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.