SCHEMBL15982012

SCHEMBL15982012

CB(O)N1CCC2(CC1)c1cc(Br)ccc1-c1ccc(Br)cc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
KCNK2 O95069 2/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
KDM1A O60341 1/20 0.33
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
TDP2 O95551 1/20 0.30
APP P05067 2/20 0.30
BACE1 P56817 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA4 P22748 2/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA6 P23280 1/20 0.30

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
SCHEMBL15837092 0.79 CYP1A2 (0.42) PDK2GABRA1GABRB2KDM1ATDP2
SCHEMBL3286776 0.76 PDK2 (0.41) PDK2KCNK2KDM1ATDP2APP
SCHEMBL14580696 0.76 PDK2 (0.41) PDK2KCNK2KDM1ATDP2APP
SCHEMBL204595 0.76 PDK2 (0.43) PDK2KCNK2KDM1ATDP2APP
SCHEMBL15836738 0.76 BACE1 (0.47) PDK2BACE1
SCHEMBL20221038 0.75 KDM1A (0.34) PDK2KCNK2GABRA1GABRB2KDM1A
SCHEMBL14580695 0.75 CA1 (0.42) PDK2KCNK2KDM1ATDP2CA1
SCHEMBL13337301 0.75 KCNK2 (0.42) PDK2KCNK2KDM1ATDP2APP
SCHEMBL12306672 0.75 KCNK2 (0.42) PDK2KCNK2KDM1ATDP2APP
SCHEMBL15969314 0.74 SMN1; SMN2 (0.40) PDK2KCNK2LMNAPKMBACE1

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-9963478-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-08 US disclosed
US-9598454-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-21 US disclosed
US-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-08-18 US disclosed
US-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 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 (2 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-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS MPI, MANBA, MAN2A1 PDK2 1352/4885KCNK2 3399/4885GABRA1 4319/4885
US-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 PDK2 1352/4885KCNK2 3399/4885GABRA1 4319/4885

“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.