SCHEMBL18311614

SCHEMBL18311614

CCCCn1ncc2c(Br)cccc21

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.56
SLC9A1 P19634 4/20 0.43
MPO P05164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PGR P06401 1/20 0.36
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
POLB P06746 1/20 0.35
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL309493 0.95 GRM2 (0.51) GRM2SLC9A1MPOTLR8
SCHEMBL24134933 0.86 SLC9A1 (0.44) GRM2SLC9A1KDM4E
SCHEMBL18070761 0.83 GRM2 (0.51) GRM2SLC9A1KDM4E
SCHEMBL20608120 0.81 TDO2 (0.40) GRM2KDM4E
SCHEMBL29561346 0.81 TDO2 (0.40) GRM2KDM4E
SCHEMBL15687500 0.79 SLC9A1 (0.41) GRM2SLC9A1MPOKDM4EPGR
SCHEMBL19048450 0.78 SLC9A1 (0.40) GRM2SLC9A1PGRRORARORC
SCHEMBL309237 0.77 TLR8 (0.50) SLC9A1TLR8
SCHEMBL27745777 0.77 GRM2 (0.37) GRM2KDM4E
SCHEMBL29527486 0.76 GRM2 (0.55) GRM2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307733-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2021-10-20 EP disclosed
EP-3307733-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2021-10-20 EP disclosed
CN-107849031-B Mannose derivatives for the treatment of bacterial infections 沃泰克斯药物股份有限公司 2021-07-27 CN disclosed
US-10407414-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-10 US disclosed
US-10407414-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-10 US disclosed
US-20180244658-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS INCORPORATED 2018-08-30 US disclosed
WO-2016199105-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-15 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 (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-10407414-B2 Mannose derivatives for treating bacterial infections MANBA, MAN2A1, MPDU1 GRM2 3437/4885SLC9A1 2602/4885MPO 214/4885
US-20180244658-A1 Mannose Derivatives for Treating Bacterial Infections MANBA, MAN2A1, MPDU1 GRM2 3437/4885SLC9A1 2602/4885MPO 214/4885

“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.