SCHEMBL855831

SCHEMBL855831

CC(C)(C)OC(=O)N1C2C[C@@H]2C[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.43
SSTR3 P32745 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
PRCP P42785 6/20 0.37
KCNK3 O14649 2/20 0.36
KCNK9 Q9NPC2 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
F11 P03951 2/20 0.34
F2 P00734 1/20 0.34
HCRTR1 O43613 1/20 0.34

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
SCHEMBL824987 1.00 HPGDS (0.43) HPGDSSSTR3MAPK13MAPK12MAPK11
SCHEMBL1293323 1.00 HPGDS (0.43) HPGDSSSTR3MAPK13MAPK12MAPK11
SCHEMBL1293325 1.00 HPGDS (0.43) HPGDSSSTR3MAPK13MAPK12MAPK11
SCHEMBL12107333 1.00 HPGDS (0.43) HPGDSSSTR3MAPK13MAPK12MAPK11
SCHEMBL14816986 1.00 HPGDS (0.43) HPGDSSSTR3MAPK13MAPK12MAPK11
SCHEMBL17563565 0.94 HPGDS (0.46) HPGDSSSTR3CYP3A4CYP2C9NR1I2
SCHEMBL11982063 0.94 HPGDS (0.46) HPGDSSSTR3CYP3A4CYP2C9NR1I2
SCHEMBL12159995 0.94 HPGDS (0.46) HPGDSSSTR3CYP3A4CYP2C9NR1I2
SCHEMBL13635812 0.94 HPGDS (0.46) HPGDSSSTR3CYP3A4CYP2C9NR1I2
SCHEMBL15127682 0.94 HPGDS (0.46) HPGDSSSTR3CYP3A4CYP2C9NR1I2

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
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
WO-2013039876-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-21 WO disclosed
US-8143301-B2 Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20100260708-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-10-14 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-20100260708-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885SSTR3 4672/4885MAPK13 3291/4885

“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.