SCHEMBL15836744

SCHEMBL15836744

COc1cccc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.40
MAOB P27338 2/20 0.40
KDM1A O60341 1/20 0.40
SCN9A Q15858 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CHRND Q07001 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38

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
SCHEMBL7315657 0.81 PDK2 (0.51) PDK2KDM1ASCN9AOPRM1OPRD1
SCHEMBL18723336 0.80 ALDH1A1 (0.46) PDK2OPRM1OPRD1OPRK1OPRL1
SCHEMBL3038890 0.77 PDK2 (0.53) PDK2OPRM1OPRD1OPRK1OPRL1
SCHEMBL31483494 0.77 PDK2 (0.53) PDK2OPRM1OPRD1OPRK1OPRL1
SCHEMBL25177748 0.77 PDK2 (0.38) PDK2MAOBKDM1ASCN9AOPRM1
SCHEMBL25181646 0.76 PDK2 (0.39) PDK2MAOBKDM1ASCN9AOPRM1
SCHEMBL13414965 0.73 ALDH1A1 (0.50) PDK2MAOBOPRM1OPRD1MEN1
SCHEMBL824239 0.73 PDK2 (0.57) PDK2OPRM1OPRD1MEN1KMT2A
SCHEMBL7324013 0.73 PDK2 (0.60) PDK2MEN1KMT2AGAA
SCHEMBL28607030 0.72 PDK2 (0.49) PDK2OPRM1OPRD1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9963478-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-08 US disclosed
US-9963478-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-08 US disclosed
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-9598454-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-21 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-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-08-18 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
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
WO-2014100158-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-26 WO 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 1352/4885MAOB 853/4885KDM1A 3721/4885
US-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 PDK2 1352/4885MAOB 853/4885KDM1A 3721/4885
US-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 PDK2 1352/4885MAOB 853/4885KDM1A 3721/4885
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds DHPS, CFTR, FDPS PDK2 1328/4885MAOB 465/4885KDM1A 2878/4885
US-10669298-B2 Mannose derivatives for treating bacterial infections MPI, MANBA, MAN2A1 PDK2 1352/4885MAOB 853/4885KDM1A 3721/4885
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 PDK2 1352/4885MAOB 853/4885KDM1A 3721/4885

“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.