SCHEMBL15430906

SCHEMBL15430906

CC(C)CC1(O)c2cc(Br)ccc2-c2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.35
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
TP53 P04637 1/20 0.33
AKR1B1 P15121 2/20 0.32
AKR1A1 P14550 1/20 0.32
PTPRC P08575 1/20 0.32
HPGD P15428 1/20 0.32
S100A4 P26447 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL18649286 0.85 PDK2 (0.40) PDK2CA1CA2CA4CA7
SCHEMBL2803154 0.81 PDK2 (0.38) PDK2CA1CA2CA4CA7
SCHEMBL22373394 0.80 PDK2 (0.44) PDK2CA1CA2CA4CA7
SCHEMBL15837023 0.79 PDK2 (0.46) PDK2CA1CA2CA4CA7
SCHEMBL15968860 0.79 PDK2 (0.41) PDK2CA1CA2CA4CA7
SCHEMBL15837020 0.76 PDK2 (0.44) PDK2CA1CA2CA4CA7
SCHEMBL15837021 0.76 PDK2 (0.46) PDK2CA1CA2CA4CA7
SCHEMBL15820862 0.74 PDK2 (0.45) PDK2CA1CA2CA4CA7
SCHEMBL2484540 0.72 PDK2 (0.50) PDK2CA1CA2CA4CA7
SCHEMBL9999602 0.72 PDK2 (0.50) PDK2CA1CA2CA4CA7

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMA (US) 2022-05-05 US disclosed
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-09 US disclosed
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2020-08-27 US disclosed
US-10669298-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-06-02 US disclosed
US-10669298-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-06-02 US disclosed
US-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS INCORPORATED 2019-04-11 US disclosed
US-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS INCORPORATED 2019-04-11 US disclosed
EP-3388441-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2018-10-17 EP disclosed
EP-2935302-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-06-06 EP disclosed
EP-2935302-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-06-06 EP disclosed
US-9306169-B2 Electronic device, polymer compound, organic compound, and method of producing polymer compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-05 US disclosed
US-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20140231717-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed
US-20140231717-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed
WO-2014100158-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-26 WO disclosed
EP-2693508-A1 ELECTRONIC DEVICE, POLYMER COMPOUND, ORGANIC COMPOUND, AND METHOD OF PRODUCING POLYMER COMPOUND Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
US-20140024785-A1 ELECTRONIC DEVICE, POLYMER COMPOUND, ORGANIC COMPOUND, AND METHOD OF PRODUCING POLYMER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-23 US disclosed
US-20140024785-A1 ELECTRONIC DEVICE, POLYMER COMPOUND, ORGANIC COMPOUND, AND METHOD OF PRODUCING POLYMER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-23 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 (6 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 1352/4885CA1 4449/4885CA2 3660/4885
US-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 PDK2 1352/4885CA1 4449/4885CA2 3660/4885
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds DHPS, CFTR, FDPS PDK2 1328/4885CA1 4158/4885CA2 2054/4885
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 PDK2 1352/4885CA1 4449/4885CA2 3660/4885
US-10669298-B2 Mannose derivatives for treating bacterial infections MPI, MANBA, MAN2A1 PDK2 1352/4885CA1 4449/4885CA2 3660/4885
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 PDK2 1352/4885CA1 4449/4885CA2 3660/4885

“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.